N-[(4-chlorophenyl)methyl]-4-oxidanylidene-7-(phenylmethylsulfanyl)-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-7-(phenylmethylsulfanyl)-1H-quinoline-3-carboxamide Openeye Name: 7-benzylsulfanyl-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-oxo-7-(phenylmethylthio)-1H-quinoline-3-carboxamide IUPAC Name: 7-benzylsulfanyl-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 7-(benzylthio)-N-(4-chlorobenzyl)-4-keto-1H-quinoline-3-carboxamide Formula: C24H19ClN2O2S MolecularWeight: 434.93786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC3=C(C=C2)C(=O)C(=CN3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC3=C(C=C2)C(=O)C(=CN3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19ClN2O2S/c25-18-8-6-16(7-9-18)13-27-24(29)21-14-26-22-12-19(10-11-20(22)23(21)28)30-15-17-4-2-1-3-5-17/h1-12,14H,13,15H2,(H,26,28)(H,27,29)