N-(4-azanylcyclohexyl)-N-[[4-(4-cyanophenyl)-3-methoxy-phenyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[4-(4-cyanophenyl)-3-methoxy-phenyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[4-(4-cyanophenyl)-3-methoxy-phenyl]methyl]-3-methyl-benzothiophene-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]methyl]-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[4-(4-cyanophenyl)-3-methoxy-benzyl]-3-methyl-benzothiophene-2-carboxamide Formula: C31H31N3O2S MolecularWeight: 509.66174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N(CC3=CC(=C(C=C3)C4=CC=C(C=C4)C#N)OC)C5CCC(CC5)N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N(CC3=CC(=C(C=C3)C4=CC=C(C=C4)C#N)OC)C5CCC(CC5)N

InChI

InChI=1S/C31H31N3O2S/c1-20-26-5-3-4-6-29(26)37-30(20)31(35)34(25-14-12-24(33)13-15-25)19-22-9-16-27(28(17-22)36-2)23-10-7-21(18-32)8-11-23/h3-11,16-17,24-25H,12-15,19,33H2,1-2H3