N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioylamino]phenyl]ethanamide Openeye Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]phenyl]acetamide CAS Name: N-[4-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]phenyl]acetamide Traditional Name: N-[4-[(4-piperonylpiperazine-1-carbothioyl)amino]phenyl]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O3S/c1-15(26)22-17-3-5-18(6-4-17)23-21(29)25-10-8-24(9-11-25)13-16-2-7-19-20(12-16)28-14-27-19/h2-7,12H,8-11,13-14H2,1H3,(H,22,26)(H,23,29)