4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(2-dimethylaminoethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(2-dimethylaminoethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-[(2-dimethylaminoethylamino)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(2-dimethylaminoethylamino)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-[(2-dimethylaminoethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(2-dimethylaminoethylamino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C31H28ClN5S2 MolecularWeight: 570.17052

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCC1=CC(=CS1)C2=CC3=NC=C(C(=C3C=C2)NC4=CC(=C(C=C4)SC5=CC=CC=C5)Cl)C#N

Isomeric SMILES

CN(C)CCNCC1=CC(=CS1)C2=CC3=NC=C(C(=C3C=C2)NC4=CC(=C(C=C4)SC5=CC=CC=C5)Cl)C#N

InChI

InChI=1S/C31H28ClN5S2/c1-37(2)13-12-34-19-26-14-22(20-38-26)21-8-10-27-29(15-21)35-18-23(17-33)31(27)36-24-9-11-30(28(32)16-24)39-25-6-4-3-5-7-25/h3-11,14-16,18,20,34H,12-13,19H2,1-2H3,(H,35,36)