N-(2-methylquinolin-6-yl)-3-(2-oxidanylidene-4-phenylazanyl-4-sulfanylidene-butyl)sulfanyl-benzamide

Systemtic Name: N-(2-methylquinolin-6-yl)-3-(2-oxidanylidene-4-phenylazanyl-4-sulfanylidene-butyl)sulfanyl-benzamide Openeye Name: 3-(4-anilino-2-oxo-4-thioxo-butyl)sulfanyl-N-(2-methyl-6-quinolyl)benzamide CAS Name: 3-[(4-anilino-2-oxo-4-sulfanylidenebutyl)thio]-N-(2-methyl-6-quinolinyl)benzamide IUPAC Name: 3-(4-anilino-2-oxo-4-sulfanylidenebutyl)sulfanyl-N-(2-methylquinolin-6-yl)benzamide Traditional Name: 3-[(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=C3)SCC(=O)CC(=S)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

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