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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloranyl-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(3-propoxyphenyl)cinchoninamide Formula: C30H30ClN3O3S MolecularWeight: 548.0955

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)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=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

InChI

InChI=1S/C30H30ClN3O3S/c1-3-12-37-20-7-5-6-18(14-20)25-16-23(22-15-19(31)9-11-24(22)33-25)29(36)34-30-27(28(32)35)21-10-8-17(4-2)13-26(21)38-30/h5-7,9,11,14-17H,3-4,8,10,12-13H2,1-2H3,(H2,32,35)(H,34,36)