N-(4-acetamidophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-2-phenylacetamide IUPAC Name: N-(4-acetamidophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide Traditional Name: N-(4-acetamidophenyl)-2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C30H28N4O2S2 MolecularWeight: 540.69892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N4O2S2/c1-20-11-13-25(14-12-20)33-30(37)34-26-9-6-10-27(19-26)38-28(22-7-4-3-5-8-22)29(36)32-24-17-15-23(16-18-24)31-21(2)35/h3-19,28H,1-2H3,(H,31,35)(H,32,36)(H2,33,34,37)