N-(1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N4O4S/c23-22(24)15-4-2-14(3-5-15)20-7-9-21(10-8-20)18(27)19-13-1-6-16-17(11-13)26-12-25-16/h1-6,11H,7-10,12H2,(H,19,27)