3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C24H21N3O3S3 MolecularWeight: 495.63684

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C24H21N3O3S3/c1-31-24-26-20-12-11-18(15-22(20)32-24)25-23(28)17-7-4-9-19(14-17)33(29,30)27-13-5-8-16-6-2-3-10-21(16)27/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,28)