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

Systemtic Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]furan-2-yl]propanoic acid Openeye Name: 3-[4-[(Z)-N-(isopropylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoic acid CAS Name: 3-[5-methyl-4-[(1Z)-1-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-furanyl]propanoic acid IUPAC Name: 3-[5-methyl-4-[(Z)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]furan-2-yl]propanoic acid Traditional Name: 3-[4-[(Z)-N-(isopropylthiocarbamoylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)O)C(=NNC(=S)NC(C)C)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)O)/C(=N\NC(=S)NC(C)C)/C

InChI

InChI=1S/C14H21N3O3S/c1-8(2)15-14(21)17-16-9(3)12-7-11(20-10(12)4)5-6-13(18)19/h7-8H,5-6H2,1-4H3,(H,18,19)(H2,15,17,21)/b16-9-