3-[5-methyl-4-[(Z)-C-methyl-N-(propylcarbamothioylamino)carbonimidoyl]furan-2-yl]propanoic acid

Systemtic Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(propylcarbamothioylamino)carbonimidoyl]furan-2-yl]propanoic acid Openeye Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(propylcarbamothioylamino)carbonimidoyl]-2-furyl]propanoic acid CAS Name: 3-[5-methyl-4-[(1Z)-1-[[propylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]-2-furanyl]propanoic acid IUPAC Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(propylcarbamothioylamino)carbonimidoyl]furan-2-yl]propanoic acid Traditional Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(propylthiocarbamoylamino)carbonimidoyl]-2-furyl]propionic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NN=C(C)C1=C(OC(=C1)CCC(=O)O)C

Isomeric SMILES

CCCNC(=S)N/N=C(/C)\C1=C(OC(=C1)CCC(=O)O)C

InChI

InChI=1S/C14H21N3O3S/c1-4-7-15-14(21)17-16-9(2)12-8-11(20-10(12)3)5-6-13(18)19/h8H,4-7H2,1-3H3,(H,18,19)(H2,15,17,21)/b16-9-