N-[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methyl-thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methyl-thiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-[4-[(1S)-1-methylpropyl]phenyl]-2-thienyl]-2-(5-methyl-2-furyl)quinoline-4-carboxamide CAS Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methyl-2-thiophenyl]-2-(5-methyl-2-furanyl)-4-quinolinecarboxamide IUPAC Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-3-cyano-5-methylthiophen-2-yl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-[4-[(1S)-1-methylpropyl]phenyl]-2-thienyl]-2-(5-methyl-2-furyl)cinchoninamide Formula: C31H27N3O2S MolecularWeight: 505.62998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(O5)C)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(O5)C)C

InChI

InChI=1S/C31H27N3O2S/c1-5-18(2)21-11-13-22(14-12-21)29-20(4)37-31(25(29)17-32)34-30(35)24-16-27(28-15-10-19(3)36-28)33-26-9-7-6-8-23(24)26/h6-16,18H,5H2,1-4H3,(H,34,35)/t18-/m0/s1