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

Systemtic Name: N-(4-nitrophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-nitrophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-nitrophenyl)-2-phenylacetamide IUPAC Name: N-(4-nitrophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-nitrophenyl)-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C27H22N4O3S2 MolecularWeight: 514.61858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C27H22N4O3S2/c32-26(28-21-14-16-23(17-15-21)31(33)34)25(19-8-3-1-4-9-19)36-24-13-7-12-22(18-24)30-27(35)29-20-10-5-2-6-11-20/h1-18,25H,(H,28,32)(H2,29,30,35)