O-[(4-tert-butylphenyl)methyl] N-[(3-methoxy-4-oxidanyl-phenyl)methyl]carbamothioate

Systemtic Name: O-[(4-tert-butylphenyl)methyl] N-[(3-methoxy-4-oxidanyl-phenyl)methyl]carbamothioate Openeye Name: O-[(4-tert-butylphenyl)methyl] N-[(4-hydroxy-3-methoxy-phenyl)methyl]carbamothioate CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamothioic acid O-[(4-tert-butylphenyl)methyl] ester IUPAC Name: O-[(4-tert-butylphenyl)methyl] N-[(4-hydroxy-3-methoxyphenyl)methyl]carbamothioate Traditional Name: N-vanillylthiocarbamic acid O-(4-tert-butylbenzyl) ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=S)NCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=S)NCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C20H25NO3S/c1-20(2,3)16-8-5-14(6-9-16)13-24-19(25)21-12-15-7-10-17(22)18(11-15)23-4/h5-11,22H,12-13H2,1-4H3,(H,21,25)