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

Systemtic Name: 2-[[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzamide Openeye Name: 2-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzamide CAS Name: 2-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzamide IUPAC Name: 2-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]benzamide Traditional Name: 2-[[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=CC=C4C(=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=CC=C4C(=O)N

InChI

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