N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-oxidanylidene-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-oxidanylidene-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[4-oxo-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C23H22N4O3S2/c1-14-11-18(26-30-14)24-19(28)13-31-23-25-21-20(16-9-5-6-10-17(16)32-21)22(29)27(23)12-15-7-3-2-4-8-15/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3,(H,24,26,28)