N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methylthiazol-2-yl)acetyl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazine-1-carbothioamide Traditional Name: 4-[2-(4-methylthiazol-2-yl)acetyl]-N-piperonyl-piperazine-1-carbothioamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N4O3S2/c1-13-11-28-17(21-13)9-18(24)22-4-6-23(7-5-22)19(27)20-10-14-2-3-15-16(8-14)26-12-25-15/h2-3,8,11H,4-7,9-10,12H2,1H3,(H,20,27)