3-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]methyl]-N-phenyl-benzamide

Systemtic Name: 3-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]methyl]-N-phenyl-benzamide Openeye Name: 3-[[[2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetyl]amino]methyl]-N-phenyl-benzamide CAS Name: 3-[[[2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-1-oxoethyl]amino]methyl]-N-phenylbenzamide IUPAC Name: 3-[[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]methyl]-N-phenylbenzamide Traditional Name: 3-[[[2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetyl]amino]methyl]-N-phenyl-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)NCC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)NCC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4S/c1-15-10-19(26-30-15)25-21(28)14-31-13-20(27)23-12-16-6-5-7-17(11-16)22(29)24-18-8-3-2-4-9-18/h2-11H,12-14H2,1H3,(H,23,27)(H,24,29)(H,25,26,28)