N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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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)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

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