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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-isopropylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-propan-2-ylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: N-o-cumenyl-4-piperonyl-piperazine-1-carbothioamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O2S/c1-16(2)18-5-3-4-6-19(18)23-22(28)25-11-9-24(10-12-25)14-17-7-8-20-21(13-17)27-15-26-20/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,28)