S-methyl N-[[1,5-bis-(diphenylmethyl)oxy-4-oxidanylidene-pyridin-2-yl]methyl]carbamothioate

Systemtic Name: S-methyl N-[[1,5-bis-(diphenylmethyl)oxy-4-oxidanylidene-pyridin-2-yl]methyl]carbamothioate Openeye Name: S-methyl N-[(1,5-dibenzhydryloxy-4-oxo-2-pyridyl)methyl]carbamothioate CAS Name: N-[[1,5-bis-(diphenylmethyl)oxy-4-oxo-2-pyridinyl]methyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[(1,5-dibenzhydryloxy-4-oxopyridin-2-yl)methyl]carbamothioate Traditional Name: N-[(1,5-dibenzhydryloxy-4-keto-2-pyridyl)methyl]thiocarbamic acid S-methyl ester Formula: C34H30N2O4S MolecularWeight: 562.678

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)NCC1=CC(=O)C(=CN1OC(C2=CC=CC=C2)C3=CC=CC=C3)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSC(=O)NCC1=CC(=O)C(=CN1OC(C2=CC=CC=C2)C3=CC=CC=C3)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H30N2O4S/c1-41-34(38)35-23-29-22-30(37)31(39-32(25-14-6-2-7-15-25)26-16-8-3-9-17-26)24-36(29)40-33(27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-22,24,32-33H,23H2,1H3,(H,35,38)