N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C17H16N6O2S2 MolecularWeight: 400.47794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O2S2/c24-23(25)12-4-5-13-14(11-12)27-16(19-13)20-17(26)22-9-7-21(8-10-22)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,19,20,26)