1-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-pyrimidin-2-yl]isonipecotamide Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H19N5O2S2/c19-16(25)11-5-7-23(8-6-11)17-20-12(9-15(24)22-17)10-26-18-21-13-3-1-2-4-14(13)27-18/h1-4,9,11H,5-8,10H2,(H2,19,25)(H,20,22,24)