N-(3-methylphenyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide

Systemtic Name: N-(3-methylphenyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide Openeye Name: N-(m-tolyl)-4-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide CAS Name: N-(3-methylphenyl)-4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide IUPAC Name: N-(3-methylphenyl)-4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide Traditional Name: 4-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(m-tolyl)butyramide Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C17H17N3O2S2/c1-11-4-2-5-12(10-11)18-14(21)6-3-8-20-16(22)15-13(7-9-24-15)19-17(20)23/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,18,21)(H,19,23)