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

Systemtic Name: ethyl 3-[(4-butylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(4-butylphenyl)carbamothioyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[[(4-butylanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-butylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[(4-butylphenyl)thiocarbamoyl-(2-furfuryl)amino]propionic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CCC(=O)OCC)CC2=CC=CO2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CCC(=O)OCC)CC2=CC=CO2

InChI

InChI=1S/C21H28N2O3S/c1-3-5-7-17-9-11-18(12-10-17)22-21(27)23(14-13-20(24)25-4-2)16-19-8-6-15-26-19/h6,8-12,15H,3-5,7,13-14,16H2,1-2H3,(H,22,27)