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

Systemtic Name: O-(1-adamantyl) N-(3,4-dichlorophenyl)carbonyl-N-phenyl-carbamothioate Openeye Name: O-(1-adamantyl) N-(3,4-dichlorobenzoyl)-N-phenyl-carbamothioate CAS Name: N-[(3,4-dichlorophenyl)-oxomethyl]-N-phenylcarbamothioic acid O-(1-adamantyl) ester IUPAC Name: O-(1-adamantyl) N-(3,4-dichlorobenzoyl)-N-phenylcarbamothioate Traditional Name: N-(3,4-dichlorobenzoyl)-N-phenyl-thiocarbamic acid O-(1-adamantyl) ester Formula: C24H23Cl2NO2S MolecularWeight: 460.41592

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H23Cl2NO2S/c25-20-7-6-18(11-21(20)26)22(28)27(19-4-2-1-3-5-19)23(30)29-24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17H,8-10,12-14H2