N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-chloranyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-chloranyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-chloro-phenyl]benzothiophene-2-carboxamide CAS Name: N-[5-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-2-chlorophenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-chlorophenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-chloro-phenyl]benzothiophene-2-carboxamide Formula: C24H26ClN3O2S MolecularWeight: 456.00014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4S3)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4S3)CN

InChI

InChI=1S/C24H26ClN3O2S/c25-19-9-8-18(23(29)27-14-16-5-3-4-15(10-16)13-26)11-20(19)28-24(30)22-12-17-6-1-2-7-21(17)31-22/h1-2,6-9,11-12,15-16H,3-5,10,13-14,26H2,(H,27,29)(H,28,30)