ethyl 3-[[4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[4-(2-methoxyethoxy)benzoyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[[4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[4-(2-methoxyethoxy)benzoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[4-(2-methoxyethoxy)benzoyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-3-29-21(26)13-14-25(17-18-7-5-4-6-8-18)23(31)24-22(27)19-9-11-20(12-10-19)30-16-15-28-2/h4-12H,3,13-17H2,1-2H3,(H,24,27,31)