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

Systemtic Name: N-[3-chloranyl-4-(1,4-diazepan-1-ylcarbonyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]benzothiophene-2-carboxamide CAS Name: N-[3-chloro-4-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3O2S/c22-17-13-15(6-7-16(17)21(27)25-10-3-8-23-9-11-25)24-20(26)19-12-14-4-1-2-5-18(14)28-19/h1-2,4-7,12-13,23H,3,8-11H2,(H,24,26)