1-methyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]piperidine-3-carboxamide

Systemtic Name: 1-methyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]piperidine-3-carboxamide Openeye Name: 1-methyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]piperidine-3-carboxamide CAS Name: 1-methyl-N-[[(2-phenyl-1,3-benzodioxol-5-yl)amino]-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: 1-methyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]piperidine-3-carboxamide Traditional Name: 1-methyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)thiocarbamoyl]nipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(O3)C4=CC=CC=C4

Isomeric SMILES

CN1CCCC(C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(O3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c1-24-11-5-8-15(13-24)19(25)23-21(28)22-16-9-10-17-18(12-16)27-20(26-17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15,20H,5,8,11,13H2,1H3,(H2,22,23,25,28)