ethyl 3-[(3,4-dichlorophenyl)methylcarbamothioyl-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(3,4-dichlorophenyl)methylcarbamothioyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(3,4-dichlorophenyl)methylcarbamothioyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3,4-dichlorophenyl)methylcarbamothioyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[(3,4-dichlorobenzyl)thiocarbamoyl-(2-furfuryl)amino]propionic acid ethyl ester Formula: C18H20Cl2N2O3S MolecularWeight: 415.334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H20Cl2N2O3S/c1-2-24-17(23)7-8-22(12-14-4-3-9-25-14)18(26)21-11-13-5-6-15(19)16(20)10-13/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,21,26)