N-[4-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-oxo-4-[2-(p-tolylmethylsulfanyl)ethylamino]butyl]adamantane-1-carboxamide CAS Name: N-[4-[2-[(4-methylphenyl)methylthio]ethylamino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[2-[(4-methylbenzyl)thio]ethylamino]butyl]adamantane-1-carboxamide Formula: C25H36N2O2S MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H36N2O2S/c1-18-4-6-19(7-5-18)17-30-10-9-26-23(28)3-2-8-27-24(29)25-14-20-11-21(15-25)13-22(12-20)16-25/h4-7,20-22H,2-3,8-17H2,1H3,(H,26,28)(H,27,29)