4-(1,3-benzothiazol-2-yl)-N-(4-nitrophenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(4-nitrophenyl)piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(4-nitrophenyl)piperidine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-(4-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(4-nitrophenyl)piperidine-1-carbothioamide Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O2S2/c24-23(25)15-7-5-14(6-8-15)20-19(26)22-11-9-13(10-12-22)18-21-16-3-1-2-4-17(16)27-18/h1-8,13H,9-12H2,(H,20,26)