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

Systemtic Name: N-(4-butylphenyl)-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-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-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-butylphenyl)acetamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C27H27N3O2S2/c1-3-5-9-19-12-14-21(15-13-19)28-23(31)18-34-27-29-25-24(26(32)30(27)16-4-2)22(17-33-25)20-10-7-6-8-11-20/h4,6-8,10-15,17H,2-3,5,9,16,18H2,1H3,(H,28,31)