N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-6-bromanyl-2-(4-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-6-bromanyl-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-6-bromo-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(5-benzyl-3-carbamoylthiophen-2-yl)-6-bromo-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-6-bromo-2-p-phenetyl-cinchoninamide Formula: C30H24BrN3O3S MolecularWeight: 586.49886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C30H24BrN3O3S/c1-2-37-21-11-8-19(9-12-21)27-17-24(23-15-20(31)10-13-26(23)33-27)29(36)34-30-25(28(32)35)16-22(38-30)14-18-6-4-3-5-7-18/h3-13,15-17H,2,14H2,1H3,(H2,32,35)(H,34,36)