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

Systemtic Name: 3-bromanyl-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[4-(o-toluoylamino)phenyl]thiocarbamoyl]-4-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=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

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

InChI

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