4-(1,3-benzodioxol-5-ylmethyl)-N-(4-butyl-2-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-butyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-butyl-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-butyl-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-butyl-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H31N3O2S/c1-3-4-5-19-6-8-21(18(2)14-19)25-24(30)27-12-10-26(11-13-27)16-20-7-9-22-23(15-20)29-17-28-22/h6-9,14-15H,3-5,10-13,16-17H2,1-2H3,(H,25,30)