2,4-bis(chloranyl)-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,4-dichloro-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 2,4-dichloro-N-[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dichloro-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,4-dichloro-N-[[3-(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=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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