2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[2-(4-chlorophenyl)ethyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[2-(4-chlorophenyl)ethyl]benzamide Formula: C27H31ClN2O2S MolecularWeight: 483.06524

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NCCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H31ClN2O2S/c28-22-7-5-18(6-8-22)9-10-29-26(32)23-3-1-2-4-24(23)33-17-25(31)30-27-14-19-11-20(15-27)13-21(12-19)16-27/h1-8,19-21H,9-17H2,(H,29,32)(H,30,31)