N-(1-adamantylmethyl)-2-chloranyl-5-[2-(2-methylsulfanylethylamino)ethylamino]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[2-(2-methylsulfanylethylamino)ethylamino]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[2-(2-methylsulfanylethylamino)ethylamino]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[2-[2-(methylthio)ethylamino]ethylamino]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[2-(2-methylsulfanylethylamino)ethylamino]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[2-[2-(methylthio)ethylamino]ethylamino]benzamide Formula: C23H34ClN3OS MolecularWeight: 436.05356

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNCCNC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSCCNCCNC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H34ClN3OS/c1-29-7-6-25-4-5-26-19-2-3-21(24)20(11-19)22(28)27-15-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-3,11,16-18,25-26H,4-10,12-15H2,1H3,(H,27,28)