3-bromanyl-4-hexoxy-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(2-hydroxy-5-methyl-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(2-hydroxy-5-methyl-phenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C)O)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C)O)Br

InChI

InChI=1S/C21H25BrN2O3S/c1-3-4-5-6-11-27-19-10-8-15(13-16(19)22)20(26)24-21(28)23-17-12-14(2)7-9-18(17)25/h7-10,12-13,25H,3-6,11H2,1-2H3,(H2,23,24,26,28)