3-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoate

Systemtic Name: 3-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoate Openeye Name: 3-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoate CAS Name: 3-[4-[(1Z)-1-[[butylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoate IUPAC Name: 3-[4-[(Z)-N-(butylcarbamothioylamino)-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoate Traditional Name: 3-[4-[(Z)-N-(butylthiocarbamoylamino)-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionate Formula: C15H22N3O3S- MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C)C1=C(OC(=C1)CCC(=O)[O-])C

Isomeric SMILES

CCCCNC(=S)N/N=C(/C)\C1=C(OC(=C1)CCC(=O)[O-])C

InChI

InChI=1S/C15H23N3O3S/c1-4-5-8-16-15(22)18-17-10(2)13-9-12(21-11(13)3)6-7-14(19)20/h9H,4-8H2,1-3H3,(H,19,20)(H2,16,18,22)/p-1/b17-10-