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

Systemtic Name: 2-[4-oxidanylidene-5-phenyl-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-(3-benzyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: 2-[[4-oxo-5-phenyl-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-(3-benzyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[(3-benzyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S2/c1-2-13-26-24(32)27-20(30)16-34-25-28-22-21(19(15-33-22)18-11-7-4-8-12-18)23(31)29(25)14-17-9-5-3-6-10-17/h2-12,15H,1,13-14,16H2,(H2,26,27,30,32)