3-(2-chlorophenyl)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]propionamide Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C16H14ClN3O4S/c17-12-4-2-1-3-10(12)5-8-15(22)19-16(25)18-13-7-6-11(20(23)24)9-14(13)21/h1-4,6-7,9,21H,5,8H2,(H2,18,19,22,25)