N-(1,3-benzodioxol-5-ylmethyl)-4-cyclopropylcarbonyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-cyclopropylcarbonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclopropanecarbonyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[cyclopropyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclopropanecarbonyl)piperazine-1-carbothioamide Traditional Name: 4-(cyclopropanecarbonyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N3O3S/c21-16(13-2-3-13)19-5-7-20(8-6-19)17(24)18-10-12-1-4-14-15(9-12)23-11-22-14/h1,4,9,13H,2-3,5-8,10-11H2,(H,18,24)