4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C27H27N3O4S2 MolecularWeight: 521.65098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O4S2/c1-2-34-18-17-30-24-9-5-6-10-25(24)35-27(30)28-26(31)21-11-13-23(14-12-21)36(32,33)29-16-15-20-7-3-4-8-22(20)19-29/h3-14H,2,15-19H2,1H3