2-[[3-(3-chloranyl-4-methyl-phenyl)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[3-(3-chloranyl-4-methyl-phenyl)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[3-(3-chloro-4-methyl-phenyl)-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[[3-(3-chloro-4-methylphenyl)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C23H24ClN3O2S2 MolecularWeight: 474.03856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCC=C)C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCC=C)C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C23H24ClN3O2S2/c1-4-9-25-19(28)12-30-23-26-21-20(16-8-5-13(2)10-18(16)31-21)22(29)27(23)15-7-6-14(3)17(24)11-15/h4,6-7,11,13H,1,5,8-10,12H2,2-3H3,(H,25,28)