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4-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamothioylamino]butanoic acid

4-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamothioylamino]butanoic acid

Systemtic Name:4-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamothioylamino]butanoic acid
Openeye Name:4-[[(E)-1-(p-tolyl)ethylideneamino]carbamothioylamino]butanoic acid
CAS Name:4-[[[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid
IUPAC Name:4-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamothioylamino]butanoic acid
Traditional Name:4-[[(E)-1-(p-tolyl)ethylideneamino]thiocarbamoylamino]butyric acid
Formula: C14H19N3O2S
MolecularWeight: 293.38456
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NNC(=S)NCCCC(=O)O)C


Isomeric SMILES

CC1=CC=C(C=C1)/C(=N/NC(=S)NCCCC(=O)O)/C


InChI

InChI=1S/C14H19N3O2S/c1-10-5-7-12(8-6-10)11(2)16-17-14(20)15-9-3-4-13(18)19/h5-8H,3-4,9H2,1-2H3,(H,18,19)(H2,15,17,20)/b16-11+


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