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4-[[(E)-1-phenylethylideneamino]carbamothioylamino]butanoic acid

4-[[(E)-1-phenylethylideneamino]carbamothioylamino]butanoic acid

Systemtic Name:4-[[(E)-1-phenylethylideneamino]carbamothioylamino]butanoic acid
Openeye Name:4-[[(E)-1-phenylethylideneamino]carbamothioylamino]butanoic acid
CAS Name:4-[[[(2E)-2-(1-phenylethylidene)hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid
IUPAC Name:4-[[(E)-1-phenylethylideneamino]carbamothioylamino]butanoic acid
Traditional Name:4-[[(E)-1-phenylethylideneamino]thiocarbamoylamino]butyric acid
Formula: C13H17N3O2S
MolecularWeight: 279.35798
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H17N3O2S/c1-10(11-6-3-2-4-7-11)15-16-13(19)14-9-5-8-12(17)18/h2-4,6-7H,5,8-9H2,1H3,(H,17,18)(H2,14,16,19)/b15-10+


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