ethyl (2S)-2-[(3-ethylphenyl)carbamothioylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[(3-ethylphenyl)carbamothioylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(3-ethylphenyl)carbamothioylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(3-ethylanilino)-sulfanylidenemethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(3-ethylphenyl)carbamothioylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-ethylphenyl)thiocarbamoylamino]-3-phenyl-propionic acid ethyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC(CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N[C@@H](CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H24N2O2S/c1-3-15-11-8-12-17(13-15)21-20(25)22-18(19(23)24-4-2)14-16-9-6-5-7-10-16/h5-13,18H,3-4,14H2,1-2H3,(H2,21,22,25)/t18-/m0/s1