4-[[2-chloranyl-4-[5-[(2-dimethylaminoethylamino)methyl]thiophen-3-yl]-6-methyl-phenyl]amino]-7-[5-[[2-[(2,3-dimethylphenyl)amino]ethylamino]methyl]thiophen-3-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[[2-chloranyl-4-[5-[(2-dimethylaminoethylamino)methyl]thiophen-3-yl]-6-methyl-phenyl]amino]-7-[5-[[2-[(2,3-dimethylphenyl)amino]ethylamino]methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-[2-chloro-4-[5-[(2-dimethylaminoethylamino)methyl]-3-thienyl]-6-methyl-anilino]-7-[5-[[2-(2,3-dimethylanilino)ethylamino]methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[2-chloro-4-[5-[(2-dimethylaminoethylamino)methyl]-3-thiophenyl]-6-methylanilino]-7-[5-[[2-(2,3-dimethylanilino)ethylamino]methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[2-chloro-4-[5-[(2-dimethylaminoethylamino)methyl]thiophen-3-yl]-6-methylanilino]-7-[5-[[2-(2,3-dimethylanilino)ethylamino]methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[2-chloro-4-[5-[(2-dimethylaminoethylamino)methyl]-3-thienyl]-6-methyl-anilino]-7-[5-[[2-(2,3-dimethylanilino)ethylamino]methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C41H44ClN7S2 MolecularWeight: 734.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NCCNCC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5Cl)C6=CSC(=C6)CNCCN(C)C)C)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NCCNCC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5Cl)C6=CSC(=C6)CNCCN(C)C)C)C#N)C

InChI

InChI=1S/C41H44ClN7S2/c1-26-7-6-8-38(28(26)3)46-12-11-44-22-34-16-31(24-50-34)29-9-10-36-39(19-29)47-21-33(20-43)41(36)48-40-27(2)15-30(18-37(40)42)32-17-35(51-25-32)23-45-13-14-49(4)5/h6-10,15-19,21,24-25,44-46H,11-14,22-23H2,1-5H3,(H,47,48)