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

Systemtic Name: N-aminocarbonyl-3-methyl-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-butanamide Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoyl-3-methyl-butanamide CAS Name: N-carbamoyl-3-methyl-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]butanamide IUPAC Name: N-carbamoyl-3-methyl-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanamide Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-carbamoyl-3-methyl-butyramide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC=C

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC=C

InChI

InChI=1S/C21H22N4O3S2/c1-4-10-25-19(27)15-14(13-8-6-5-7-9-13)11-29-18(15)24-21(25)30-16(12(2)3)17(26)23-20(22)28/h4-9,11-12,16H,1,10H2,2-3H3,(H3,22,23,26,28)