N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(2-pyridyl)cinchoninamide Formula: C25H21ClN4O2S MolecularWeight: 476.97784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=N5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=N5

InChI

InChI=1S/C25H21ClN4O2S/c1-13-8-9-15-20(11-13)33-25(21(15)23(27)31)30-24(32)16-12-19(18-7-2-3-10-28-18)29-22-14(16)5-4-6-17(22)26/h2-7,10,12-13H,8-9,11H2,1H3,(H2,27,31)(H,30,32)