N-(3-aminocarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-6-methyl-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-6-methyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)-6-methyl-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-6-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)-6-methyl-2-(2-pyridyl)cinchoninamide Formula: C29H22N4O2S MolecularWeight: 490.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)C5=CC=CC=C5CC4)C(=O)N)C6=CC=CC=N6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)C5=CC=CC=C5CC4)C(=O)N)C6=CC=CC=N6

InChI

InChI=1S/C29H22N4O2S/c1-16-9-12-22-20(14-16)21(15-24(32-22)23-8-4-5-13-31-23)28(35)33-29-25(27(30)34)19-11-10-17-6-2-3-7-18(17)26(19)36-29/h2-9,12-15H,10-11H2,1H3,(H2,30,34)(H,33,35)