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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=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=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

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