N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N4O2S2/c1-13-15(11-18(26)24-21-23-16-9-5-6-10-17(16)29-21)19(27)25-20(22-13)28-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,22,25,27)(H,23,24,26)