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

Systemtic Name: 3-[(4-bromophenyl)carbamothioylamino]-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: 3-[(4-bromophenyl)carbamothioylamino]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-[(4-bromophenyl)carbamothioylamino]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-[(4-bromophenyl)thiocarbamoylamino]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C18H16BrF3N4O4S MolecularWeight: 521.30825

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=S)NC1=CC=C(C=C1)Br)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CC(CNC(=S)NC1=CC=C(C=C1)Br)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C18H16BrF3N4O4S/c1-17(28,9-23-16(31)25-11-4-2-10(19)3-5-11)15(27)24-12-6-7-14(26(29)30)13(8-12)18(20,21)22/h2-8,28H,9H2,1H3,(H,24,27)(H2,23,25,31)