N-[(3-chlorophenyl)methyl]-5-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-5-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide Openeye Name: N-[(3-chlorophenyl)methyl]-5-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide CAS Name: N-[(3-chlorophenyl)methyl]-5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide Traditional Name: N-(3-chlorobenzyl)-5-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)valeramide Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNC(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNC(=O)CCCCN2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C18H18ClN3O2S2/c19-13-5-3-4-12(10-13)11-20-15(23)6-1-2-8-22-17(24)16-14(7-9-26-16)21-18(22)25/h3-5,7,9-10H,1-2,6,8,11H2,(H,20,23)(H,21,25)