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

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

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4O2S2/c24-23(25)15-9-7-14(8-10-15)20-19(26)22-11-3-4-13(12-22)18-21-16-5-1-2-6-17(16)27-18/h1-2,5-10,13H,3-4,11-12H2,(H,20,26)/t13-/m0/s1