4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O4S2/c1-3-15-30-24-17-22(34-2)10-13-25(24)35-27(30)28-26(31)20-8-11-23(12-9-20)36(32,33)29-16-14-19-6-4-5-7-21(19)18-29/h4-13,17H,3,14-16,18H2,1-2H3