ethyl 4-[(4-butyl-2-methyl-phenyl)carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(4-butyl-2-methyl-phenyl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(4-butyl-2-methyl-phenyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[(4-butyl-2-methylanilino)-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-butyl-2-methylphenyl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(4-butyl-2-methyl-phenyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NC2CCN(CC2)C(=O)OCC)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NC2CCN(CC2)C(=O)OCC)C

InChI

InChI=1S/C20H31N3O2S/c1-4-6-7-16-8-9-18(15(3)14-16)22-19(26)21-17-10-12-23(13-11-17)20(24)25-5-2/h8-9,14,17H,4-7,10-13H2,1-3H3,(H2,21,22,26)