methyl 2-[(diphenylmethyl)carbamothioylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(diphenylmethyl)carbamothioylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-(benzhydrylcarbamothioylamino)-3-benzylsulfanyl-propanoate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-(benzhydrylcarbamothioylamino)-3-benzylsulfanylpropanoate Traditional Name: 2-(benzhydrylthiocarbamoylamino)-3-(benzylthio)propionic acid methyl ester Formula: C25H26N2O2S2 MolecularWeight: 450.61614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O2S2/c1-29-24(28)22(18-31-17-19-11-5-2-6-12-19)26-25(30)27-23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23H,17-18H2,1H3,(H2,26,27,30)