ethyl 3-[(4-bromophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(4-bromophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(4-bromophenyl)carbamothioyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[[(4-bromoanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[(4-bromophenyl)thiocarbamoyl-(2-furfuryl)amino]propionic acid ethyl ester Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O3S/c1-2-22-16(21)9-10-20(12-15-4-3-11-23-15)17(24)19-14-7-5-13(18)6-8-14/h3-8,11H,2,9-10,12H2,1H3,(H,19,24)