N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-2-(3-butoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-2-(3-butoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-2-(3-butoxyphenyl)quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: N-(5-benzyl-3-carbamoylthiophen-2-yl)-2-(3-butoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-2-(3-butoxyphenyl)cinchoninamide Formula: C32H29N3O3S MolecularWeight: 535.65596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C32H29N3O3S/c1-2-3-16-38-23-13-9-12-22(18-23)29-20-26(25-14-7-8-15-28(25)34-29)31(37)35-32-27(30(33)36)19-24(39-32)17-21-10-5-4-6-11-21/h4-15,18-20H,2-3,16-17H2,1H3,(H2,33,36)(H,35,37)