2-[[(5-methylfuran-2-yl)methyl-[(4-methylphenyl)methyl]carbamothioyl]amino]ethanoate

Systemtic Name: 2-[[(5-methylfuran-2-yl)methyl-[(4-methylphenyl)methyl]carbamothioyl]amino]ethanoate Openeye Name: 2-[[(5-methyl-2-furyl)methyl-(p-tolylmethyl)carbamothioyl]amino]acetate CAS Name: 2-[[[(5-methyl-2-furanyl)methyl-[(4-methylphenyl)methyl]amino]-sulfanylidenemethyl]amino]acetate IUPAC Name: 2-[[(5-methylfuran-2-yl)methyl-[(4-methylphenyl)methyl]carbamothioyl]amino]acetate Traditional Name: 2-[[(4-methylbenzyl)-[(5-methyl-2-furyl)methyl]thiocarbamoyl]amino]acetate Formula: C17H19N2O3S- MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=C(O2)C)C(=S)NCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=C(O2)C)C(=S)NCC(=O)[O-]

InChI

InChI=1S/C17H20N2O3S/c1-12-3-6-14(7-4-12)10-19(17(23)18-9-16(20)21)11-15-8-5-13(2)22-15/h3-8H,9-11H2,1-2H3,(H,18,23)(H,20,21)/p-1