N-(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cinchoninamide Formula: C30H30BrN3O2S MolecularWeight: 576.5471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)N

InChI

InChI=1S/C30H30BrN3O2S/c1-2-3-7-18-10-12-19(13-11-18)25-17-23(22-16-20(31)14-15-24(22)33-25)29(36)34-30-27(28(32)35)21-8-5-4-6-9-26(21)37-30/h10-17H,2-9H2,1H3,(H2,32,35)(H,34,36)