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

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

Systemtic Name:N-(1-adamantyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide
Openeye Name:N-(1-adamantyl)-4-(2-quinolylsulfanylmethyl)benzamide
CAS Name:N-(1-adamantyl)-4-[(2-quinolinylthio)methyl]benzamide
IUPAC Name:N-(1-adamantyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide
Traditional Name:N-(1-adamantyl)-4-[(2-quinolylthio)methyl]benzamide
Formula: C27H28N2OS
MolecularWeight: 428.58902
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H28N2OS/c30-26(29-27-14-19-11-20(15-27)13-21(12-19)16-27)23-7-5-18(6-8-23)17-31-25-10-9-22-3-1-2-4-24(22)28-25/h1-10,19-21H,11-17H2,(H,29,30)


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