N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)-8-methyl-cinchoninamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C5=CC(=CC=C5)OCC(C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C5=CC(=CC=C5)OCC(C)C

InChI

InChI=1S/C30H31N3O3S/c1-17(2)16-36-20-10-7-9-19(14-20)24-15-23(21-12-6-8-18(3)27(21)32-24)29(35)33-30-26(28(31)34)22-11-4-5-13-25(22)37-30/h6-10,12,14-15,17H,4-5,11,13,16H2,1-3H3,(H2,31,34)(H,33,35)