N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)C4=NC=CN4C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)C4=NC=CN4C

InChI

InChI=1S/C26H26N4O2S/c1-4-17(2)18-9-11-19(12-10-18)28-23(31)16-33-24-15-21(20-7-5-6-8-22(20)29-24)25(32)26-27-13-14-30(26)3/h5-15,17H,4,16H2,1-3H3,(H,28,31)/t17-/m0/s1