ethyl 3-[furan-2-ylmethyl-[(2,4,5-trimethylphenyl)carbamothioyl]amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[(2,4,5-trimethylphenyl)carbamothioyl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[(2,4,5-trimethylphenyl)carbamothioyl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[sulfanylidene-(2,4,5-trimethylanilino)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[(2,4,5-trimethylphenyl)carbamothioyl]amino]propanoate Traditional Name: 3-[2-furfuryl-[(2,4,5-trimethylphenyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC2=C(C=C(C(=C2)C)C)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC2=C(C=C(C(=C2)C)C)C

InChI

InChI=1S/C20H26N2O3S/c1-5-24-19(23)8-9-22(13-17-7-6-10-25-17)20(26)21-18-12-15(3)14(2)11-16(18)4/h6-7,10-12H,5,8-9,13H2,1-4H3,(H,21,26)