N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-chloranyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-chloranyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-chloro-phenyl]benzothiophene-2-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-chlorophenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-chlorophenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-chloro-phenyl]benzothiophene-2-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H22ClN3O2S/c23-17-10-5-14(21(27)25-16-8-6-15(24)7-9-16)11-18(17)26-22(28)20-12-13-3-1-2-4-19(13)29-20/h1-5,10-12,15-16H,6-9,24H2,(H,25,27)(H,26,28)