ethyl 3-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3-isopentyloxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[3-(3-methylbutoxy)benzoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(3-isoamoxybenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=CC=C2)OCCC(C)C

InChI

InChI=1S/C25H32N2O4S/c1-4-30-23(28)13-15-27(18-20-9-6-5-7-10-20)25(32)26-24(29)21-11-8-12-22(17-21)31-16-14-19(2)3/h5-12,17,19H,4,13-16,18H2,1-3H3,(H,26,29,32)