O-(1-adamantyl) N-(4-chlorophenyl)carbonyl-N-phenyl-carbamothioate

Systemtic Name: O-(1-adamantyl) N-(4-chlorophenyl)carbonyl-N-phenyl-carbamothioate Openeye Name: O-(1-adamantyl) N-(4-chlorobenzoyl)-N-phenyl-carbamothioate CAS Name: N-[(4-chlorophenyl)-oxomethyl]-N-phenylcarbamothioic acid O-(1-adamantyl) ester IUPAC Name: O-(1-adamantyl) N-(4-chlorobenzoyl)-N-phenylcarbamothioate Traditional Name: N-(4-chlorobenzoyl)-N-phenyl-thiocarbamic acid O-(1-adamantyl) ester Formula: C24H24ClNO2S MolecularWeight: 425.97086

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H24ClNO2S/c25-20-8-6-19(7-9-20)22(27)26(21-4-2-1-3-5-21)23(29)28-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-9,16-18H,10-15H2