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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloranyl-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-2-(3-propoxyphenyl)cinchoninamide Formula: C31H32ClN3O3S MolecularWeight: 562.12208

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

InChI

InChI=1S/C31H32ClN3O3S/c1-4-13-38-20-8-6-7-19(15-20)25-16-23(21-11-12-24(32)17(3)28(21)34-25)30(37)35-31-27(29(33)36)22-10-9-18(5-2)14-26(22)39-31/h6-8,11-12,15-16,18H,4-5,9-10,13-14H2,1-3H3,(H2,33,36)(H,35,37)