N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C23H22N4O2S2/c1-15-11-21(29)27(23(25-15)30-14-16-7-3-2-4-8-16)13-20(28)26-22-18(12-24)17-9-5-6-10-19(17)31-22/h2-4,7-8,11H,5-6,9-10,13-14H2,1H3,(H,26,28)