4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(1-phenylethyl)benzamide

Systemtic Name: 4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(1-phenylethyl)benzamide Openeye Name: 4-[(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(1-phenylethyl)benzamide CAS Name: 4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(1-phenylethyl)benzamide IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(1-phenylethyl)benzamide Traditional Name: 4-[(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(1-phenylethyl)benzamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CS4)NC3=S

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CS4)NC3=S

InChI

InChI=1S/C22H19N3O2S2/c1-14(16-5-3-2-4-6-16)23-20(26)17-9-7-15(8-10-17)13-25-21(27)19-18(11-12-29-19)24-22(25)28/h2-12,14H,13H2,1H3,(H,23,26)(H,24,28)