N-[6-chloranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-[6-chloranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C26H24ClN3O4S2 MolecularWeight: 542.06946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H24ClN3O4S2/c1-34-15-14-30-23-11-8-21(27)16-24(23)35-26(30)28-25(31)19-6-9-22(10-7-19)36(32,33)29-13-12-18-4-2-3-5-20(18)17-29/h2-11,16H,12-15,17H2,1H3