1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxamide CAS Name: 1-[(4-butylanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-butylphenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: 1-[(4-butylphenyl)thiocarbamoyl]isonipecotamide Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS/c1-2-3-4-13-5-7-15(8-6-13)19-17(22)20-11-9-14(10-12-20)16(18)21/h5-8,14H,2-4,9-12H2,1H3,(H2,18,21)(H,19,22)