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

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

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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

Isomeric SMILES

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

InChI

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