N-(1-oxidanylidenepentan-2-yl)-4-(quinolin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(1-oxidanylidenepentan-2-yl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(1-formylbutyl)-4-(2-quinolylsulfanylmethyl)benzamide CAS Name: N-(1-oxopentan-2-yl)-4-[(2-quinolinylthio)methyl]benzamide IUPAC Name: N-(1-oxopentan-2-yl)-4-(quinolin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(1-formylbutyl)-4-[(2-quinolylthio)methyl]benzamide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=O)NC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCC(C=O)NC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O2S/c1-2-5-19(14-25)23-22(26)18-10-8-16(9-11-18)15-27-21-13-12-17-6-3-4-7-20(17)24-21/h3-4,6-14,19H,2,5,15H2,1H3,(H,23,26)