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

Systemtic Name: N-(6-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(6-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=CC(=CC2=C1N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)S2)C)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)S2)C)Cl

InChI

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