N-[2-(azepan-1-ylcarbonyl)phenyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C22H20Cl2N2O2S MolecularWeight: 447.3774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O2S/c23-14-9-10-16-18(13-14)29-20(19(16)24)21(27)25-17-8-4-3-7-15(17)22(28)26-11-5-1-2-6-12-26/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,25,27)