3-[4-(carbamothioylamino)phenoxy]-2-methyl-N-(3-methyl-4-nitro-phenyl)-2-oxidanyl-propanamide

Systemtic Name: 3-[4-(carbamothioylamino)phenoxy]-2-methyl-N-(3-methyl-4-nitro-phenyl)-2-oxidanyl-propanamide Openeye Name: 3-[4-(carbamothioylamino)phenoxy]-2-hydroxy-2-methyl-N-(3-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[4-(carbamothioylamino)phenoxy]-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[4-(carbamothioylamino)phenoxy]-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide Traditional Name: 2-hydroxy-2-methyl-N-(3-methyl-4-nitro-phenyl)-3-(4-thioureidophenoxy)propionamide Formula: C18H20N4O5S MolecularWeight: 404.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)(COC2=CC=C(C=C2)NC(=S)N)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)(COC2=CC=C(C=C2)NC(=S)N)O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-11-9-13(5-8-15(11)22(25)26)20-16(23)18(2,24)10-27-14-6-3-12(4-7-14)21-17(19)28/h3-9,24H,10H2,1-2H3,(H,20,23)(H3,19,21,28)