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-(diethylsulfamoyl)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-(diethylsulfamoyl)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-(diethylsulfamoyl)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-(diethylsulfamoyl)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-(diethylsulfamoyl)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-(diethylsulfamoyl)benzamide Formula: C28H33N4O3S3+ MolecularWeight: 569.78162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C(C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C(C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H32N4O3S3/c1-5-32(6-2)38(34,35)20-13-11-19(12-14-20)26(33)30-28-25(27-29-22-9-7-8-10-23(22)36-27)21-15-16-31(18(3)4)17-24(21)37-28/h7-14,18H,5-6,15-17H2,1-4H3,(H,30,33)/p+1