ethyl 3-[(phenylmethyl)-[(4-propoxyphenyl)carbonylcarbamothioyl]amino]propanoate

Systemtic Name: ethyl 3-[(phenylmethyl)-[(4-propoxyphenyl)carbonylcarbamothioyl]amino]propanoate Openeye Name: ethyl 3-[benzyl-[(4-propoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(4-propoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(4-propoxybenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4S/c1-3-16-29-20-12-10-19(11-13-20)22(27)24-23(30)25(15-14-21(26)28-4-2)17-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H,24,27,30)