4-(1,3-benzodioxol-5-ylmethyl)-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-butan-2-ylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-piperonyl-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O2S/c1-3-17(2)19-5-7-20(8-6-19)24-23(29)26-12-10-25(11-13-26)15-18-4-9-21-22(14-18)28-16-27-21/h4-9,14,17H,3,10-13,15-16H2,1-2H3,(H,24,29)