4-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[(2-chlorophenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-[(2-chlorobenzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butyramide Formula: C25H24ClN3O2S2 MolecularWeight: 498.05996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H24ClN3O2S2/c26-20-10-5-4-9-19(20)17-33-25-28-21-13-16-32-23(21)24(31)29(25)15-6-11-22(30)27-14-12-18-7-2-1-3-8-18/h1-5,7-10,13,16H,6,11-12,14-15,17H2,(H,27,30)