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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-piperonylamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c21-15-11-14(5-6-16(15)24-8-2-1-3-9-24)22-20(28)23-19(25)13-4-7-17-18(10-13)27-12-26-17/h4-7,10-11H,1-3,8-9,12H2,(H2,22,23,25,28)