N-(1-adamantyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[4-oxo-3-phenyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[5-(4-methylphenyl)-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[4-keto-3-phenyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C31H31N3O2S2 MolecularWeight: 541.72674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C31H31N3O2S2/c1-19-7-9-23(10-8-19)25-17-37-28-27(25)29(36)34(24-5-3-2-4-6-24)30(32-28)38-18-26(35)33-31-14-20-11-21(15-31)13-22(12-20)16-31/h2-10,17,20-22H,11-16,18H2,1H3,(H,33,35)