S-(phenylmethyl) N-[2-methyl-5-[(phenylmethylsulfanyl)carbonylamino]phenyl]carbamothioate

Systemtic Name: S-(phenylmethyl) N-[2-methyl-5-[(phenylmethylsulfanyl)carbonylamino]phenyl]carbamothioate Openeye Name: S-benzyl N-[3-(benzylsulfanylcarbonylamino)-4-methyl-phenyl]carbamothioate CAS Name: N-[2-methyl-5-[[oxo-(phenylmethylthio)methyl]amino]phenyl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[3-(benzylsulfanylcarbonylamino)-4-methylphenyl]carbamothioate Traditional Name: N-[3-[(benzylthio)carbonylamino]-4-methyl-phenyl]thiocarbamic acid S-benzyl ester Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)SCC2=CC=CC=C2)NC(=O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)SCC2=CC=CC=C2)NC(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O2S2/c1-17-12-13-20(24-22(26)28-15-18-8-4-2-5-9-18)14-21(17)25-23(27)29-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)