O-(1-adamantyl) N-phenyl-N-(3,4,5-trimethoxyphenyl)carbonyl-carbamothioate

Systemtic Name: O-(1-adamantyl) N-phenyl-N-(3,4,5-trimethoxyphenyl)carbonyl-carbamothioate Openeye Name: O-(1-adamantyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate CAS Name: N-[oxo-(3,4,5-trimethoxyphenyl)methyl]-N-phenylcarbamothioic acid O-(1-adamantyl) ester IUPAC Name: O-(1-adamantyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate Traditional Name: N-phenyl-N-(3,4,5-trimethoxybenzoyl)thiocarbamic acid O-(1-adamantyl) ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31NO5S/c1-30-22-12-20(13-23(31-2)24(22)32-3)25(29)28(21-7-5-4-6-8-21)26(34)33-27-14-17-9-18(15-27)11-19(10-17)16-27/h4-8,12-13,17-19H,9-11,14-16H2,1-3H3