3,5-bis(chloranyl)-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-N-[[2-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-N-[[2-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O2S/c22-14-10-13(11-15(23)12-14)19(27)26-21(29)25-18-9-5-4-8-17(18)20(28)24-16-6-2-1-3-7-16/h4-5,8-12,16H,1-3,6-7H2,(H,24,28)(H2,25,26,27,29)