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

Systemtic Name: 3-cyclohexyl-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]propanamide Openeye Name: 3-cyclohexyl-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]propionamide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H21N3O4S/c20-14-10-12(19(22)23)7-8-13(14)17-16(24)18-15(21)9-6-11-4-2-1-3-5-11/h7-8,10-11,20H,1-6,9H2,(H2,17,18,21,24)