ethyl (E)-4-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C22H22N4O5S/c1-3-31-19(28)13-12-18(27)24-22(32)26-25-20(29)15-8-10-16(11-9-15)23-21(30)17-7-5-4-6-14(17)2/h4-13H,3H2,1-2H3,(H,23,30)(H,25,29)(H2,24,26,27,32)/b13-12+