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

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloranyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(3-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=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5

InChI

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