methyl 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-butylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-butylphenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C18H26N2O2S/c1-3-4-5-14-6-8-16(9-7-14)19-18(23)20-12-10-15(11-13-20)17(21)22-2/h6-9,15H,3-5,10-13H2,1-2H3,(H,19,23)