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

Systemtic Name: N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C31H28N4O4S MolecularWeight: 552.64342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3OCCC4=CC=CC=C4

InChI

InChI=1S/C31H28N4O4S/c1-21-8-7-11-24(20-21)28(36)32-25-16-14-23(15-17-25)29(37)34-35-31(40)33-30(38)26-12-5-6-13-27(26)39-19-18-22-9-3-2-4-10-22/h2-17,20H,18-19H2,1H3,(H,32,36)(H,34,37)(H2,33,35,38,40)