N-(1,3-benzothiazol-2-yl)-2-[[5-(3-methylbutyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[5-(3-methylbutyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(4-hydroxy-5-isopentyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4-hydroxy-5-isoamyl-6-keto-1H-pyrimidin-2-yl)thio]acetamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N=C(NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC(C)CCC1=C(N=C(NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C18H20N4O3S2/c1-10(2)7-8-11-15(24)21-17(22-16(11)25)26-9-14(23)20-18-19-12-5-3-4-6-13(12)27-18/h3-6,10H,7-9H2,1-2H3,(H,19,20,23)(H2,21,22,24,25)