2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-phenylpropyl)acetamide CAS Name: 2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-phenylpropyl)acetamide Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(3-phenylpropyl)acetamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCCCC4=CC=CC=C4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCCCC4=CC=CC=C4)CC=C

InChI

InChI=1S/C27H27N3O2S2/c1-3-16-30-26(32)24-22(21-13-11-19(2)12-14-21)17-33-25(24)29-27(30)34-18-23(31)28-15-7-10-20-8-5-4-6-9-20/h3-6,8-9,11-14,17H,1,7,10,15-16,18H2,2H3,(H,28,31)