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

Systemtic Name: 3-chloranyl-N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[4-(diethylamino)-2-methylanilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[[4-(diethylamino)-2-methyl-phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Cl)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Cl)C

InChI

InChI=1S/C21H26ClN3O2S/c1-5-25(6-2)16-9-10-18(14(4)12-16)23-21(28)24-20(26)15-8-11-19(27-7-3)17(22)13-15/h8-13H,5-7H2,1-4H3,(H2,23,24,26,28)