N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-phenyl-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C25H22N4O2S2 MolecularWeight: 474.59778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S2/c1-17-16-22(29-31-17)28-24(30)23(18-8-4-2-5-9-18)33-21-14-12-20(13-15-21)27-25(32)26-19-10-6-3-7-11-19/h2-16,23H,1H3,(H2,26,27,32)(H,28,29,30)