3-methyl-4-[(2-nitrophenyl)carbamothioylamino]piperidine-1-carboxylic acid

Systemtic Name: 3-methyl-4-[(2-nitrophenyl)carbamothioylamino]piperidine-1-carboxylic acid Openeye Name: 3-methyl-4-[(2-nitrophenyl)carbamothioylamino]piperidine-1-carboxylic acid CAS Name: 3-methyl-4-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 3-methyl-4-[(2-nitrophenyl)carbamothioylamino]piperidine-1-carboxylic acid Traditional Name: 3-methyl-4-[(2-nitrophenyl)thiocarbamoylamino]piperidine-1-carboxylic acid Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1CN(CCC1NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N4O4S/c1-9-8-17(14(19)20)7-6-10(9)15-13(23)16-11-4-2-3-5-12(11)18(21)22/h2-5,9-10H,6-8H2,1H3,(H,19,20)(H2,15,16,23)