N-[4-[(3-methylbutanoylamino)carbamoyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[(3-methylbutanoylamino)carbamoyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[(3-methylbutanoylamino)carbamoyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-[4-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]phenyl]acetamide IUPAC Name: N-[4-[(3-methylbutanoylamino)carbamoyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-[(isovalerylamino)carbamoyl]phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C

Isomeric SMILES

CC(C)CC(=O)NNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C18H23N5O3S/c1-12(2)10-15(24)21-22-17(26)13-4-6-14(7-5-13)20-16(25)11-27-18-19-8-9-23(18)3/h4-9,12H,10-11H2,1-3H3,(H,20,25)(H,21,24)(H,22,26)