4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O4S2/c1-3-30-24-14-11-22(34-4-2)17-25(24)35-27(30)28-26(31)20-9-12-23(13-10-20)36(32,33)29-16-15-19-7-5-6-8-21(19)18-29/h5-14,17H,3-4,15-16,18H2,1-2H3