3-(benzimidazol-1-yl)-N-[(2S)-1-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butan-2-yl]propanamide

Systemtic Name: 3-(benzimidazol-1-yl)-N-[(2S)-1-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butan-2-yl]propanamide Openeye Name: 3-(benzimidazol-1-yl)-N-[(1S)-1-[[6-oxo-3-(2-thienyl)pyridazin-1-yl]methyl]propyl]propanamide CAS Name: 3-(1-benzimidazolyl)-N-[(2S)-1-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butan-2-yl]propanamide IUPAC Name: 3-(benzimidazol-1-yl)-N-[(2S)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]propanamide Traditional Name: 3-(benzimidazol-1-yl)-N-[(1S)-1-[[6-keto-3-(2-thienyl)pyridazin-1-yl]methyl]propyl]propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C=CC(=N1)C2=CC=CS2)NC(=O)CCN3C=NC4=CC=CC=C43

Isomeric SMILES

CC[C@@H](CN1C(=O)C=CC(=N1)C2=CC=CS2)NC(=O)CCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H23N5O2S/c1-2-16(14-27-22(29)10-9-18(25-27)20-8-5-13-30-20)24-21(28)11-12-26-15-23-17-6-3-4-7-19(17)26/h3-10,13,15-16H,2,11-12,14H2,1H3,(H,24,28)/t16-/m0/s1