N-(4-tert-butylcyclohexyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-tert-butylcyclohexyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(4-tert-butylcyclohexyl)-4-(2-quinolylsulfanylmethyl)benzamide CAS Name: N-(4-tert-butylcyclohexyl)-4-[(2-quinolinylthio)methyl]benzamide IUPAC Name: N-(4-tert-butylcyclohexyl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(4-tert-butylcyclohexyl)-4-[(2-quinolylthio)methyl]benzamide Formula: C27H32N2OS MolecularWeight: 432.62078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H32N2OS/c1-27(2,3)22-13-15-23(16-14-22)28-26(30)21-10-8-19(9-11-21)18-31-25-17-12-20-6-4-5-7-24(20)29-25/h4-12,17,22-23H,13-16,18H2,1-3H3,(H,28,30)