N-[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-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)CC(CC5)C)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)C[C@@H](CC5)C)C(=O)N

InChI

InChI=1S/C30H30BrN3O2S/c1-3-4-5-18-7-9-19(10-8-18)25-16-23(22-15-20(31)11-13-24(22)33-25)29(36)34-30-27(28(32)35)21-12-6-17(2)14-26(21)37-30/h7-11,13,15-17H,3-6,12,14H2,1-2H3,(H2,32,35)(H,34,36)/t17-/m1/s1