N-(1,3-benzodioxol-5-yl)-4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide Formula: C19H17N5O5S MolecularWeight: 427.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H17N5O5S/c25-18(20-12-1-4-15-16(9-12)29-11-28-15)22-5-7-23(8-6-22)19-21-14-3-2-13(24(26)27)10-17(14)30-19/h1-4,9-10H,5-8,11H2,(H,20,25)