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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(3-nitrophenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c24-23(25)16-3-1-2-15(11-16)20-19(28)22-8-6-21(7-9-22)12-14-4-5-17-18(10-14)27-13-26-17/h1-5,10-11H,6-9,12-13H2,(H,20,28)