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

Systemtic Name: ethyl 3-[(4-bromanyl-3-methyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(4-bromo-3-methyl-phenyl)carbamothioyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromo-3-methylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[(4-bromo-3-methyl-phenyl)thiocarbamoyl-(2-furfuryl)amino]propionic acid ethyl ester Formula: C18H21BrN2O3S MolecularWeight: 425.33994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3S/c1-3-23-17(22)8-9-21(12-15-5-4-10-24-15)18(25)20-14-6-7-16(19)13(2)11-14/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,25)