N-(2-ethyl-6-methyl-phenyl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C)C

InChI

InChI=1S/C27H27N3O2S2/c1-5-15-30-26(32)22-21(20-12-8-7-9-13-20)16-33-25(22)29-27(30)34-18(4)24(31)28-23-17(3)11-10-14-19(23)6-2/h5,7-14,16,18H,1,6,15H2,2-4H3,(H,28,31)