N-(3,5-dimethylphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(3,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,5-dimethylphenyl)-2-phenylacetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(3,5-dimethylphenyl)-2-phenyl-acetamide Formula: C31H29N3O2S2 MolecularWeight: 539.71086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C)C

InChI

InChI=1S/C31H29N3O2S2/c1-20-16-21(2)18-27(17-20)32-30(36)29(24-8-5-4-6-9-24)38-28-11-7-10-26(19-28)34-31(37)33-25-14-12-23(13-15-25)22(3)35/h4-19,29H,1-3H3,(H,32,36)(H2,33,34,37)