4-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzamide

Systemtic Name: 4-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzamide Openeye Name: 4-[[2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetyl]amino]benzamide CAS Name: 4-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzamide IUPAC Name: 4-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]benzamide Traditional Name: 4-[[2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzamide Formula: C29H26N4O2S2 MolecularWeight: 526.67234

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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)C(=O)N

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)C(=O)N

InChI

InChI=1S/C29H26N4O2S2/c1-19-10-14-23(15-11-19)32-29(36)33-24-8-5-9-25(18-24)37-26(20-6-3-2-4-7-20)28(35)31-22-16-12-21(13-17-22)27(30)34/h2-18,26H,1H3,(H2,30,34)(H,31,35)(H2,32,33,36)