N-(1,3-benzothiazol-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H23N3O4S/c1-32-22-12-16(13-23(33-2)26(22)34-3)21-14-18(17-8-4-5-9-19(17)29-21)27(31)28-15-25-30-20-10-6-7-11-24(20)35-25/h4-14H,15H2,1-3H3,(H,28,31)