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

Systemtic Name: 3-chloranyl-N-[[4-(4-cyanophenyl)-3-methoxy-phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(4-cyanophenyl)-3-methoxy-phenyl]methyl]-N-[4-(methylamino)cyclohexyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-cyanophenyl)-3-methoxy-benzyl]-N-[4-(methylamino)cyclohexyl]benzothiophene-2-carboxamide Formula: C31H30ClN3O2S MolecularWeight: 544.1068

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCC(CC1)N(CC2=CC(=C(C=C2)C3=CC=C(C=C3)C#N)OC)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CNC1CCC(CC1)N(CC2=CC(=C(C=C2)C3=CC=C(C=C3)C#N)OC)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C31H30ClN3O2S/c1-34-23-12-14-24(15-13-23)35(31(36)30-29(32)26-5-3-4-6-28(26)38-30)19-21-9-16-25(27(17-21)37-2)22-10-7-20(18-33)8-11-22/h3-11,16-17,23-24,34H,12-15,19H2,1-2H3