N-(2,6-diethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,6-diethylphenyl)propanamide CAS Name: N-(2,6-diethylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2,6-diethylphenyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2,6-diethylphenyl)propionamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C22H25N3O2S2/c1-5-12-25-21(27)17-11-13-28-20(17)24-22(25)29-14(4)19(26)23-18-15(6-2)9-8-10-16(18)7-3/h5,8-11,13-14H,1,6-7,12H2,2-4H3,(H,23,26)