6-methyl-2-methylsulfanyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyrimidin-3-ium-5-carboxamide

Systemtic Name: 6-methyl-2-methylsulfanyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyrimidin-3-ium-5-carboxamide Openeye Name: 6-methyl-2-methylsulfanyl-N-phenyl-4-(2-thienyl)-1,4-dihydropyrimidin-3-ium-5-carboxamide CAS Name: 6-methyl-2-(methylthio)-N-phenyl-4-thiophen-2-yl-1,4-dihydropyrimidin-3-ium-5-carboxamide IUPAC Name: 6-methyl-2-methylsulfanyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyrimidin-3-ium-5-carboxamide Traditional Name: 6-methyl-2-(methylthio)-N-phenyl-4-(2-thienyl)-1,4-dihydropyrimidin-3-ium-5-carboxamide Formula: C17H18N3OS2+ MolecularWeight: 344.47432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([NH+]=C(N1)SC)C2=CC=CS2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C([NH+]=C(N1)SC)C2=CC=CS2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS2/c1-11-14(16(21)19-12-7-4-3-5-8-12)15(13-9-6-10-23-13)20-17(18-11)22-2/h3-10,15H,1-2H3,(H,18,20)(H,19,21)/p+1