3-bromanyl-4-hexoxy-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-(o-toluoylamino)phenyl]thiocarbamoyl]benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Br

InChI

InChI=1S/C28H30BrN3O3S/c1-3-4-5-8-17-35-25-16-11-20(18-24(25)29)26(33)32-28(36)31-22-14-12-21(13-15-22)30-27(34)23-10-7-6-9-19(23)2/h6-7,9-16,18H,3-5,8,17H2,1-2H3,(H,30,34)(H2,31,32,33,36)