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

Systemtic Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-4-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-4-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-N-(2-methyl-4-nitro-phenyl)-2-phenyl-acetamide Formula: C29H26N4O4S2 MolecularWeight: 558.67114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

InChI

InChI=1S/C29H26N4O4S2/c1-19-17-22(33(35)36)15-16-24(19)31-28(34)27(20-9-4-3-5-10-20)39-23-12-8-11-21(18-23)30-29(38)32-25-13-6-7-14-26(25)37-2/h3-18,27H,1-2H3,(H,31,34)(H2,30,32,38)