N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-3-chloro-benzothiophene-2-carboxamide Formula: C24H22ClN3O3S3 MolecularWeight: 532.09778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C24H22ClN3O3S3/c25-21-18-7-3-4-8-20(18)33-22(21)23(29)27-24-26-19(15-32-24)16-9-11-17(12-10-16)34(30,31)28-13-5-1-2-6-14-28/h3-4,7-12,15H,1-2,5-6,13-14H2,(H,26,27,29)