4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O5S/c1-27-18-11-15(24(25)26)3-4-16(18)21-20(30)23-8-6-22(7-9-23)12-14-2-5-17-19(10-14)29-13-28-17/h2-5,10-11H,6-9,12-13H2,1H3,(H,21,30)