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

Systemtic Name: 3-cyclohexyl-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]propanamide Openeye Name: 3-cyclohexyl-N-[[(2-nitrobenzoyl)amino]carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[[(2-nitrobenzoyl)amino]carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]propionamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S/c22-15(11-10-12-6-2-1-3-7-12)18-17(26)20-19-16(23)13-8-4-5-9-14(13)21(24)25/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,23)(H2,18,20,22,26)