N-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[(3-chloro-4-methyl-phenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[(3-chloro-4-methylphenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-3-4-5-8-13-26-19-10-7-6-9-17(19)20(25)24-21(27)23-16-12-11-15(2)18(22)14-16/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H2,23,24,25,27)