ethyl 3-[2-(4-methoxyphenyl)ethanoylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[2-(4-methoxyphenyl)ethanoylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[2-(4-methoxyphenyl)acetyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H26N2O4S/c1-3-28-21(26)13-14-24(16-18-7-5-4-6-8-18)22(29)23-20(25)15-17-9-11-19(27-2)12-10-17/h4-12H,3,13-16H2,1-2H3,(H,23,25,29)