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

Systemtic Name: 4-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)-N-phenethyl-butanamide Openeye Name: 4-(4-oxo-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)-N-phenethyl-butanamide CAS Name: 4-[4-oxo-2-(phenacylthio)-3-thieno[3,2-d]pyrimidinyl]-N-phenethylbutanamide IUPAC Name: 4-(4-oxo-2-phenacylsulfanylthieno[3,2-d]pyrimidin-3-yl)-N-phenethylbutanamide Traditional Name: 4-[4-keto-2-(phenacylthio)thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butyramide Formula: C26H25N3O3S2 MolecularWeight: 491.625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S2/c30-22(20-10-5-2-6-11-20)18-34-26-28-21-14-17-33-24(21)25(32)29(26)16-7-12-23(31)27-15-13-19-8-3-1-4-9-19/h1-6,8-11,14,17H,7,12-13,15-16,18H2,(H,27,31)