3-cyclohexyl-N-[(2-nitrophenyl)carbamothioyl]propanamide

Systemtic Name: 3-cyclohexyl-N-[(2-nitrophenyl)carbamothioyl]propanamide Openeye Name: 3-cyclohexyl-N-[(2-nitrophenyl)carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[(2-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[(2-nitrophenyl)carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[(2-nitrophenyl)thiocarbamoyl]propionamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c20-15(11-10-12-6-2-1-3-7-12)18-16(23)17-13-8-4-5-9-14(13)19(21)22/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,17,18,20,23)