2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)-2-phenyl-ethanamide Openeye Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)-2-phenyl-acetamide CAS Name: 2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-nitrophenyl)-2-phenyl-acetamide Formula: C28H24N4O4S2 MolecularWeight: 544.64456

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O4S2/c1-36-25-13-6-5-12-24(25)31-28(37)30-21-10-7-11-23(18-21)38-26(19-8-3-2-4-9-19)27(33)29-20-14-16-22(17-15-20)32(34)35/h2-18,26H,1H3,(H,29,33)(H2,30,31,37)