ethyl (E)-4-[[(3-methylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[(3-methylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(3-methylbenzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(3-methylbenzoyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[(m-toluoylamino)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-3-22-13(20)8-7-12(19)16-15(23)18-17-14(21)11-6-4-5-10(2)9-11/h4-9H,3H2,1-2H3,(H,17,21)(H2,16,18,19,23)/b8-7+