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

Systemtic Name: 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzamide Openeye Name: 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzamide CAS Name: 4-[[2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzamide IUPAC Name: 4-[[2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]benzamide Traditional Name: 4-[[2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-2-phenyl-acetyl]amino]benzamide Formula: C29H26N4O3S2 MolecularWeight: 542.67174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C29H26N4O3S2/c1-36-25-13-6-5-12-24(25)33-29(37)32-22-10-7-11-23(18-22)38-26(19-8-3-2-4-9-19)28(35)31-21-16-14-20(15-17-21)27(30)34/h2-18,26H,1H3,(H2,30,34)(H,31,35)(H2,32,33,37)