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

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(3-chloro-4-methyl-phenyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(3-chloro-4-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=CC(=C(C=C2)C)Cl

Isomeric SMILES

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

InChI

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