N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H17N3O4S/c25-18-13-16(24(27)28)11-12-17(18)22-21(29)23-20(26)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,25H,(H2,22,23,26,29)