1-methyl-N-[(4-pentoxyphenyl)carbamothioyl]piperidine-3-carboxamide

Systemtic Name: 1-methyl-N-[(4-pentoxyphenyl)carbamothioyl]piperidine-3-carboxamide Openeye Name: 1-methyl-N-[(4-pentoxyphenyl)carbamothioyl]piperidine-3-carboxamide CAS Name: 1-methyl-N-[(4-pentoxyanilino)-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: 1-methyl-N-[(4-pentoxyphenyl)carbamothioyl]piperidine-3-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-1-methyl-nipecotamide Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2CCCN(C2)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2CCCN(C2)C

InChI

InChI=1S/C19H29N3O2S/c1-3-4-5-13-24-17-10-8-16(9-11-17)20-19(25)21-18(23)15-7-6-12-22(2)14-15/h8-11,15H,3-7,12-14H2,1-2H3,(H2,20,21,23,25)