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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-(4-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(4-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(4-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(4-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(4-propoxyphenyl)cinchoninamide Formula: C28H26ClN3O3S MolecularWeight: 520.04234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C28H26ClN3O3S/c1-2-14-35-17-12-10-16(11-13-17)22-15-20(18-7-5-8-21(29)25(18)31-22)27(34)32-28-24(26(30)33)19-6-3-4-9-23(19)36-28/h5,7-8,10-13,15H,2-4,6,9,14H2,1H3,(H2,30,33)(H,32,34)