N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(4-methylpiperidino)phenyl]thiocarbamoyl]-piperonylamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

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