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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCC1=CC=C(S1)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=C(S1)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)15-14-34-20-25-10-13-29(39-25)21-8-11-26-28(16-21)35-19-22(18-33)31(26)36-23-9-12-30(27(32)17-23)38-24-6-4-3-5-7-24/h3-13,16-17,19,34H,14-15,20H2,1-2H3,(H,35,36)