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

Systemtic Name: 5-bromanyl-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-(m-toluoylamino)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C30H26BrN3O3S MolecularWeight: 588.51474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C30H26BrN3O3S/c1-20-6-5-9-22(18-20)28(35)32-24-11-13-25(14-12-24)33-30(38)34-29(36)26-19-23(31)10-15-27(26)37-17-16-21-7-3-2-4-8-21/h2-15,18-19H,16-17H2,1H3,(H,32,35)(H2,33,34,36,38)