ethyl 3-[(4-bromanyl-3-chloranyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(4-bromanyl-3-chloranyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(4-bromo-3-chloro-phenyl)carbamothioyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromo-3-chlorophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[(4-bromo-3-chloro-phenyl)thiocarbamoyl-(2-furfuryl)amino]propionic acid ethyl ester Formula: C17H18BrClN2O3S MolecularWeight: 445.75842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrClN2O3S/c1-2-23-16(22)7-8-21(11-13-4-3-9-24-13)17(25)20-12-5-6-14(18)15(19)10-12/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,25)