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

Systemtic Name: N-(5-methoxy-2-methyl-phenyl)-2-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(3-allyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(5-methoxy-2-methyl-phenyl)acetamide CAS Name: N-(5-methoxy-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(5-methoxy-2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(5-methoxy-2-methyl-phenyl)acetamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C

Isomeric SMILES

CC1=C(C=C(C=C1)OC)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C

InChI

InChI=1S/C23H25N3O3S2/c1-4-11-26-22(28)20-16-7-5-6-8-18(16)31-21(20)25-23(26)30-13-19(27)24-17-12-15(29-3)10-9-14(17)2/h4,9-10,12H,1,5-8,11,13H2,2-3H3,(H,24,27)