2-[[(5-methylfuran-2-yl)methyl-(phenylmethyl)carbamothioyl]amino]ethanoic acid

Systemtic Name: 2-[[(5-methylfuran-2-yl)methyl-(phenylmethyl)carbamothioyl]amino]ethanoic acid Openeye Name: 2-[[benzyl-[(5-methyl-2-furyl)methyl]carbamothioyl]amino]acetic acid CAS Name: 2-[[[(5-methyl-2-furanyl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[[benzyl-[(5-methylfuran-2-yl)methyl]carbamothioyl]amino]acetic acid Traditional Name: 2-[[benzyl-[(5-methyl-2-furyl)methyl]thiocarbamoyl]amino]acetic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CC2=CC=CC=C2)C(=S)NCC(=O)O

Isomeric SMILES

CC1=CC=C(O1)CN(CC2=CC=CC=C2)C(=S)NCC(=O)O

InChI

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