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

Systemtic Name: 4-chloranyl-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[2-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[2-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O4S/c22-16-11-10-13(12-18(16)26(29)30)19(27)25-21(31)24-17-9-5-4-8-15(17)20(28)23-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,23,28)(H2,24,25,27,31)