methyl 2-[(diphenylmethyl)carbamothioylamino]-3-(4-fluorophenyl)propanoate

Systemtic Name: methyl 2-[(diphenylmethyl)carbamothioylamino]-3-(4-fluorophenyl)propanoate Openeye Name: methyl 2-(benzhydrylcarbamothioylamino)-3-(4-fluorophenyl)propanoate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-3-(4-fluorophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-(benzhydrylcarbamothioylamino)-3-(4-fluorophenyl)propanoate Traditional Name: 2-(benzhydrylthiocarbamoylamino)-3-(4-fluorophenyl)propionic acid methyl ester Formula: C24H23FN2O2S MolecularWeight: 422.515023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)F)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)F)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H23FN2O2S/c1-29-23(28)21(16-17-12-14-20(25)15-13-17)26-24(30)27-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21-22H,16H2,1H3,(H2,26,27,30)