4-[(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-N-phenyl-benzamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)SC=C2

InChI

InChI=1S/C21H17N3O2S2/c1-24-20(26)17-11-12-27-19(17)23-21(24)28-13-14-7-9-15(10-8-14)18(25)22-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,22,25)