4-[[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]butanoic acid

Systemtic Name: 4-[[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]butanoic acid Openeye Name: 4-[[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]butanoic acid CAS Name: 4-[[[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-[[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]butanoic acid Traditional Name: 4-[[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiocarbamoylamino]butyric acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNNC(=S)NCCCC(=O)O)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C/NNC(=S)NCCCC(=O)O)/C(=O)C=C1

InChI

InChI=1S/C12H15N3O3S/c16-10-5-2-1-4-9(10)8-14-15-12(19)13-7-3-6-11(17)18/h1-2,4-5,8,14H,3,6-7H2,(H,17,18)(H2,13,15,19)/b9-8-