4-(1,3-benzodioxol-5-ylmethyl)-N-(2,6-diethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,6-diethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,6-diethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,6-diethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,6-diethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O2S/c1-3-18-6-5-7-19(4-2)22(18)24-23(29)26-12-10-25(11-13-26)15-17-8-9-20-21(14-17)28-16-27-20/h5-9,14H,3-4,10-13,15-16H2,1-2H3,(H,24,29)