N-(2-methylquinolin-6-yl)-2-(2-oxidanylidene-4-phenylazanyl-4-sulfanylidene-butyl)sulfanyl-benzamide

Systemtic Name: N-(2-methylquinolin-6-yl)-2-(2-oxidanylidene-4-phenylazanyl-4-sulfanylidene-butyl)sulfanyl-benzamide Openeye Name: 2-(4-anilino-2-oxo-4-thioxo-butyl)sulfanyl-N-(2-methyl-6-quinolyl)benzamide CAS Name: 2-[(4-anilino-2-oxo-4-sulfanylidenebutyl)thio]-N-(2-methyl-6-quinolinyl)benzamide IUPAC Name: 2-(4-anilino-2-oxo-4-sulfanylidenebutyl)sulfanyl-N-(2-methylquinolin-6-yl)benzamide Traditional Name: 2-[(4-anilino-2-keto-4-thioxo-butyl)thio]-N-(2-methyl-6-quinolyl)benzamide Formula: C27H23N3O2S2 MolecularWeight: 485.62042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)CC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)CC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C27H23N3O2S2/c1-18-11-12-19-15-21(13-14-24(19)28-18)30-27(32)23-9-5-6-10-25(23)34-17-22(31)16-26(33)29-20-7-3-2-4-8-20/h2-15H,16-17H2,1H3,(H,29,33)(H,30,32)