2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(m-tolyl)-3H-quinolin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2,2,4-trimethyl-4-(m-tolyl)-3H-quinolin-1-yl]ethanone Formula: C28H28N2OS2 MolecularWeight: 472.66472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CC(N(C3=CC=CC=C32)C(=O)CSC4=NC5=CC=CC=C5S4)(C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2(CC(N(C3=CC=CC=C32)C(=O)CSC4=NC5=CC=CC=C5S4)(C)C)C

InChI

InChI=1S/C28H28N2OS2/c1-19-10-9-11-20(16-19)28(4)18-27(2,3)30(23-14-7-5-12-21(23)28)25(31)17-32-26-29-22-13-6-8-15-24(22)33-26/h5-16H,17-18H2,1-4H3