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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C30H31N3O3S/c1-3-4-15-36-20-11-8-10-19(16-20)24-17-23(21-13-7-9-18(2)27(21)32-24)29(35)33-30-26(28(31)34)22-12-5-6-14-25(22)37-30/h7-11,13,16-17H,3-6,12,14-15H2,1-2H3,(H2,31,34)(H,33,35)