methyl 3-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C25H22N4O5S MolecularWeight: 490.53098

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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(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C25H22N4O5S/c1-15-6-3-4-9-20(15)23(32)26-19-12-10-16(11-13-19)22(31)28-29-25(35)27-21(30)17-7-5-8-18(14-17)24(33)34-2/h3-14H,1-2H3,(H,26,32)(H,28,31)(H2,27,29,30,35)