2-[(3-cyclohexyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(3-cyclohexyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-(3-cyclohexyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(3-cyclohexyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(3-cyclohexyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(3-cyclohexyl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]-N-phenethyl-acetamide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2S2/c30-22(27-16-15-18-9-3-1-4-10-18)17-32-26-28-23-20-13-7-8-14-21(20)33-24(23)25(31)29(26)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,27,30)