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

Systemtic Name: ethyl 3-[(4-pentoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(4-pentoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(4-pentoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[(4-amoxybenzoyl)thiocarbamoyl-benzyl-amino]propionic acid ethyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C25H32N2O4S/c1-3-5-9-18-31-22-14-12-21(13-15-22)24(29)26-25(32)27(17-16-23(28)30-4-2)19-20-10-7-6-8-11-20/h6-8,10-15H,3-5,9,16-19H2,1-2H3,(H,26,29,32)