N-(1,3-benzothiazol-2-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C14H12N4O3S2 MolecularWeight: 348.40008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCSC3=NC(=CC(=O)N3)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCSC3=NC(=CC(=O)N3)O

InChI

InChI=1S/C14H12N4O3S2/c19-10(5-6-22-13-17-11(20)7-12(21)18-13)16-14-15-8-3-1-2-4-9(8)23-14/h1-4,7H,5-6H2,(H,15,16,19)(H2,17,18,20,21)