N-(1-adamantylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(1-adamantylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(1-adamantylmethyl)-4-(2-quinolylsulfanylmethyl)benzamide CAS Name: N-(1-adamantylmethyl)-4-[(2-quinolinylthio)methyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(1-adamantylmethyl)-4-[(2-quinolylthio)methyl]benzamide Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C28H30N2OS/c31-27(29-18-28-14-20-11-21(15-28)13-22(12-20)16-28)24-7-5-19(6-8-24)17-32-26-10-9-23-3-1-2-4-25(23)30-26/h1-10,20-22H,11-18H2,(H,29,31)