N-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)amino]-1,1-bis(oxidanylidene)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-methylphenyl)-3-[(4-morpholin-4-ylphenyl)amino]-1,1-bis(oxidanylidene)-1-benzothiophene-2-carboxamide Openeye Name: 3-(4-morpholinoanilino)-1,1-dioxo-N-(p-tolyl)benzothiophene-2-carboxamide CAS Name: N-(4-methylphenyl)-3-[4-(4-morpholinyl)anilino]-1,1-dioxo-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-methylphenyl)-3-(4-morpholin-4-ylanilino)-1,1-dioxo-1-benzothiophene-2-carboxamide Traditional Name: 1,1-diketo-3-(4-morpholinoanilino)-N-(p-tolyl)benzothiophene-2-carboxamide Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2(=O)=O)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2(=O)=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H25N3O4S/c1-18-6-8-20(9-7-18)28-26(30)25-24(22-4-2-3-5-23(22)34(25,31)32)27-19-10-12-21(13-11-19)29-14-16-33-17-15-29/h2-13,27H,14-17H2,1H3,(H,28,30)