N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C25H22N4O4S2 MolecularWeight: 506.59658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H22N4O4S2/c1-16(30)26-20-8-11-22-23(14-20)34-25(27-22)28-24(31)18-6-9-21(10-7-18)35(32,33)29-13-12-17-4-2-3-5-19(17)15-29/h2-11,14H,12-13,15H2,1H3,(H,26,30)(H,27,28,31)