N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C25H22ClN3O3S2 MolecularWeight: 512.04348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)N2C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)N2C

InChI

InChI=1S/C25H22ClN3O3S2/c1-16-7-12-21(26)23-22(16)28(2)25(33-23)27-24(30)18-8-10-20(11-9-18)34(31,32)29-14-13-17-5-3-4-6-19(17)15-29/h3-12H,13-15H2,1-2H3