methyl 3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]propanoate

Systemtic Name: methyl 3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]propanoate Openeye Name: methyl 3-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]propanoate CAS Name: 3-[[(2-methoxy-5-phenylanilino)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-methoxy-5-phenylphenyl)carbamothioylamino]propanoate Traditional Name: 3-[(2-methoxy-5-phenyl-phenyl)thiocarbamoylamino]propionic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NCCC(=O)OC

InChI

InChI=1S/C18H20N2O3S/c1-22-16-9-8-14(13-6-4-3-5-7-13)12-15(16)20-18(24)19-11-10-17(21)23-2/h3-9,12H,10-11H2,1-2H3,(H2,19,20,24)