N-[(4-pentoxyphenyl)carbamothioyl]-1-propan-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]-1-propan-2-yl-piperidine-3-carboxamide Openeye Name: 1-isopropyl-N-[(4-pentoxyphenyl)carbamothioyl]piperidine-3-carboxamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-1-propan-2-yl-3-piperidinecarboxamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]-1-propan-2-ylpiperidine-3-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-1-isopropyl-nipecotamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2S/c1-4-5-6-14-26-19-11-9-18(10-12-19)22-21(27)23-20(25)17-8-7-13-24(15-17)16(2)3/h9-12,16-17H,4-8,13-15H2,1-3H3,(H2,22,23,25,27)