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

Systemtic Name: 4-[[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzamide Openeye Name: 4-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzamide CAS Name: 4-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzamide IUPAC Name: 4-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]benzamide Traditional Name: 4-[[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-2-phenyl-acetyl]amino]benzamide Formula: C30H26N4O3S2 MolecularWeight: 554.68244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=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

CC(=O)C1=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/C30H26N4O3S2/c1-19(35)20-10-14-24(15-11-20)33-30(38)34-25-8-5-9-26(18-25)39-27(21-6-3-2-4-7-21)29(37)32-23-16-12-22(13-17-23)28(31)36/h2-18,27H,1H3,(H2,31,36)(H,32,37)(H2,33,34,38)