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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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