N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-2-(3-pyridyl)cinchoninamide Formula: C30H22N4O2S MolecularWeight: 502.58628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CN=CC=C6

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CN=CC=C6

InChI

InChI=1S/C30H22N4O2S/c1-19-13-14-27(36-2)26(16-19)34(30-33-24-11-5-6-12-28(24)37-30)29(35)22-17-25(20-8-7-15-31-18-20)32-23-10-4-3-9-21(22)23/h3-18H,1-2H3