N-[3-[(4-bromanyl-2-methyl-phenyl)carbamothioylamino]phenyl]-2-oxidanyl-benzamide

Systemtic Name: N-[3-[(4-bromanyl-2-methyl-phenyl)carbamothioylamino]phenyl]-2-oxidanyl-benzamide Openeye Name: N-[3-[(4-bromo-2-methyl-phenyl)carbamothioylamino]phenyl]-2-hydroxy-benzamide CAS Name: N-[3-[[(4-bromo-2-methylanilino)-sulfanylidenemethyl]amino]phenyl]-2-hydroxybenzamide IUPAC Name: N-[3-[(4-bromo-2-methylphenyl)carbamothioylamino]phenyl]-2-hydroxybenzamide Traditional Name: N-[3-[(4-bromo-2-methyl-phenyl)thiocarbamoylamino]phenyl]-2-hydroxy-benzamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3O

InChI

InChI=1S/C21H18BrN3O2S/c1-13-11-14(22)9-10-18(13)25-21(28)24-16-6-4-5-15(12-16)23-20(27)17-7-2-3-8-19(17)26/h2-12,26H,1H3,(H,23,27)(H2,24,25,28)