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

Systemtic Name: N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(5-benzyl-3-carbamoylthiophen-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-2-(3,4-dimethylphenyl)cinchoninamide Formula: C30H25N3O2S MolecularWeight: 491.6034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)N)C

InChI

InChI=1S/C30H25N3O2S/c1-18-12-13-21(14-19(18)2)27-17-24(23-10-6-7-11-26(23)32-27)29(35)33-30-25(28(31)34)16-22(36-30)15-20-8-4-3-5-9-20/h3-14,16-17H,15H2,1-2H3,(H2,31,34)(H,33,35)