N-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-ylcarbonyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-thiophen-2-ylcarbonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[oxo(thiophen-2-yl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-piperonyl-4-(2-thenoyl)piperazine-1-carbothioamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CS2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CS2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N3O3S2/c22-17(16-2-1-9-26-16)20-5-7-21(8-6-20)18(25)19-11-13-3-4-14-15(10-13)24-12-23-14/h1-4,9-10H,5-8,11-12H2,(H,19,25)