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

Systemtic Name: 3-bromanyl-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C31H27BrN4O4S MolecularWeight: 631.53948

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H27BrN4O4S/c1-20-7-5-6-10-25(20)30(39)33-24-14-11-22(12-15-24)29(38)35-36-31(41)34-28(37)23-13-16-27(26(32)19-23)40-18-17-21-8-3-2-4-9-21/h2-16,19H,17-18H2,1H3,(H,33,39)(H,35,38)(H2,34,36,37,41)