N-[4-(azepan-1-ylcarbonyl)phenyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-3-chloro-benzothiophene-2-carboxamide Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN2O2S/c23-19-17-7-3-4-8-18(17)28-20(19)21(26)24-16-11-9-15(10-12-16)22(27)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-14H2,(H,24,26)