2-(3,4-dimethylphenyl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-5-yl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[2-(isobutyrylamino)-1,3-benzothiazol-5-yl]cinchoninamide Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)SC(=N5)NC(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)SC(=N5)NC(=O)C(C)C)C

InChI

InChI=1S/C29H26N4O2S/c1-16(2)27(34)33-29-32-25-14-20(11-12-26(25)36-29)30-28(35)22-15-24(19-10-9-17(3)18(4)13-19)31-23-8-6-5-7-21(22)23/h5-16H,1-4H3,(H,30,35)(H,32,33,34)