N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OCC

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OCC

InChI

InChI=1S/C30H31N3O3S/c1-3-7-18-10-15-22-26(16-18)37-30(27(22)28(31)34)33-29(35)23-17-25(32-24-9-6-5-8-21(23)24)19-11-13-20(14-12-19)36-4-2/h5-6,8-9,11-14,17-18H,3-4,7,10,15-16H2,1-2H3,(H2,31,34)(H,33,35)