2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]carbamothioyl]amino]ethanoic acid

Systemtic Name: 2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]carbamothioyl]amino]ethanoic acid Openeye Name: 2-[[2-furylmethyl(p-tolylmethyl)carbamothioyl]amino]acetic acid CAS Name: 2-[[[2-furanylmethyl-[(4-methylphenyl)methyl]amino]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[[furan-2-ylmethyl-[(4-methylphenyl)methyl]carbamothioyl]amino]acetic acid Traditional Name: 2-[[2-furfuryl-(4-methylbenzyl)thiocarbamoyl]amino]acetic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NCC(=O)O

InChI

InChI=1S/C16H18N2O3S/c1-12-4-6-13(7-5-12)10-18(11-14-3-2-8-21-14)16(22)17-9-15(19)20/h2-8H,9-11H2,1H3,(H,17,22)(H,19,20)