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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-p-phenetyl-cinchoninamide Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C27H24ClN3O3S/c1-2-34-16-12-10-15(11-13-16)21-14-19(17-7-5-8-20(28)24(17)30-21)26(33)31-27-23(25(29)32)18-6-3-4-9-22(18)35-27/h5,7-8,10-14H,2-4,6,9H2,1H3,(H2,29,32)(H,31,33)