N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)C4=CC=CC=C4

InChI

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