N-(1,3-benzodioxol-5-yl)-1-[(phenylmethyl)carbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(phenylmethyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(benzylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[(phenylmethyl)amino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(benzylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(benzylthiocarbamoyl)isonipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c25-20(23-17-6-7-18-19(12-17)27-14-26-18)16-8-10-24(11-9-16)21(28)22-13-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2,(H,22,28)(H,23,25)