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

Systemtic Name: N-(4-azanylcyclohexyl)-3-chloranyl-N-[[3-(4-cyanophenyl)-4-methoxy-phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-3-chloro-N-[[3-(4-cyanophenyl)-4-methoxy-phenyl]methyl]benzothiophene-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-3-chloro-N-[[3-(4-cyanophenyl)-4-methoxyphenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-3-chloro-N-[[3-(4-cyanophenyl)-4-methoxyphenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-3-chloro-N-[3-(4-cyanophenyl)-4-methoxy-benzyl]benzothiophene-2-carboxamide Formula: C30H28ClN3O2S MolecularWeight: 530.08022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCC(CC2)N)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCC(CC2)N)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C30H28ClN3O2S/c1-36-26-15-8-20(16-25(26)21-9-6-19(17-32)7-10-21)18-34(23-13-11-22(33)12-14-23)30(35)29-28(31)24-4-2-3-5-27(24)37-29/h2-10,15-16,22-23H,11-14,18,33H2,1H3