N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]-4-(dimethylsulfamoyl)benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]-4-(dimethylsulfamoyl)benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]-4-(dimethylsulfamoyl)benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]-4-(dimethylsulfamoyl)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]-4-(dimethylsulfamoyl)benzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]-4-(dimethylsulfamoyl)benzamide Formula: C26H29N4O3S3+ MolecularWeight: 541.72846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N(C)C

InChI

InChI=1S/C26H28N4O3S3/c1-16(2)30-14-13-19-22(15-30)35-26(23(19)25-27-20-7-5-6-8-21(20)34-25)28-24(31)17-9-11-18(12-10-17)36(32,33)29(3)4/h5-12,16H,13-15H2,1-4H3,(H,28,31)/p+1