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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

InChI

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