ethyl 4-[butyl-[(2-nitrophenyl)carbamothioyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[butyl-[(2-nitrophenyl)carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[butyl-[(2-nitrophenyl)carbamothioyl]amino]piperidine-1-carboxylate CAS Name: 4-[butyl-[(2-nitroanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[butyl-[(2-nitrophenyl)carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[butyl-[(2-nitrophenyl)thiocarbamoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCN(CC1)C(=O)OCC)C(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1CCN(CC1)C(=O)OCC)C(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O4S/c1-3-5-12-22(15-10-13-21(14-11-15)19(24)27-4-2)18(28)20-16-8-6-7-9-17(16)23(25)26/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,28)