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

Systemtic Name: ethyl (E)-4-[[(3-chlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(3-chlorobenzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(3-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(3-chlorobenzoyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(3-chlorobenzoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C14H14ClN3O4S MolecularWeight: 355.79666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O4S/c1-2-22-12(20)7-6-11(19)16-14(23)18-17-13(21)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3,(H,17,21)(H2,16,18,19,23)/b7-6+