1-[(4-butyl-2-methyl-phenyl)carbamothioyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-butyl-2-methyl-phenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: 1-[(4-butyl-2-methyl-phenyl)carbamothioyl]piperidine-4-carboxamide CAS Name: 1-[(4-butyl-2-methylanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-butyl-2-methylphenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: 1-[(4-butyl-2-methyl-phenyl)thiocarbamoyl]isonipecotamide Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3OS/c1-3-4-5-14-6-7-16(13(2)12-14)20-18(23)21-10-8-15(9-11-21)17(19)22/h6-7,12,15H,3-5,8-11H2,1-2H3,(H2,19,22)(H,20,23)