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

Systemtic Name: N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(3-chloro-2-methyl-phenyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[(3-chloro-2-methylphenyl)carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]benzamide Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C20H23ClN2O2S/c1-3-4-5-13-25-16-11-9-15(10-12-16)19(24)23-20(26)22-18-8-6-7-17(21)14(18)2/h6-12H,3-5,13H2,1-2H3,(H2,22,23,24,26)