2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methylphenyl)butanamide

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methylphenyl)butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(o-tolyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-methylphenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methylphenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(o-tolyl)butyramide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C26H27N3O2S2/c1-4-24(25(31)29-23-11-6-5-8-17(23)2)33-22-10-7-9-21(16-22)28-26(32)27-20-14-12-19(13-15-20)18(3)30/h5-16,24H,4H2,1-3H3,(H,29,31)(H2,27,28,32)