N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide Formula: C25H22ClN3O3S2 MolecularWeight: 512.04348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C25H22ClN3O3S2/c1-4-10-29-24(31)22-17(16-8-6-5-7-9-16)13-33-23(22)28-25(29)34-14-21(30)27-19-11-15(2)18(26)12-20(19)32-3/h4-9,11-13H,1,10,14H2,2-3H3,(H,27,30)