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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-ethyl-2-benzo[e][1,3]benzothiazolylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)benzamide Formula: C29H25N3O3S2 MolecularWeight: 527.6571

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CCN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C29H25N3O3S2/c1-2-32-27-25-10-6-5-8-21(25)13-16-26(27)36-29(32)30-28(33)22-11-14-24(15-12-22)37(34,35)31-18-17-20-7-3-4-9-23(20)19-31/h3-16H,2,17-19H2,1H3