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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C21H25ClN2O2S/c1-3-4-5-6-14-26-17-12-10-16(11-13-17)20(25)24-21(27)23-19-9-7-8-18(22)15(19)2/h7-13H,3-6,14H2,1-2H3,(H2,23,24,25,27)