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

Systemtic Name: N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxyphenyl)cinchoninamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O3S/c1-3-6-17-9-14-21-25(15-17)36-29(26(21)27(30)33)32-28(34)22-16-24(18-10-12-19(35-2)13-11-18)31-23-8-5-4-7-20(22)23/h4-5,7-8,10-13,16-17H,3,6,9,14-15H2,1-2H3,(H2,30,33)(H,32,34)