N-(4-butylphenyl)-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-butylphenyl)acetamide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C

InChI

InChI=1S/C23H27N3O2S2/c1-5-7-8-17-9-11-18(12-10-17)24-19(27)14-29-23-25-21-20(15(3)16(4)30-21)22(28)26(23)13-6-2/h6,9-12H,2,5,7-8,13-14H2,1,3-4H3,(H,24,27)