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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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