N-[(4-piperidin-1-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(4-piperidin-1-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(1-piperidyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4-piperidin-1-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-piperidinophenyl)thiocarbamoyl]-piperonylamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O3S/c24-19(14-4-9-17-18(12-14)26-13-25-17)22-20(27)21-15-5-7-16(8-6-15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H2,21,22,24,27)