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

Systemtic Name: N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c26-19(22-15-8-2-1-3-9-15)14-7-6-10-16(13-14)23-21(30)24-20(27)17-11-4-5-12-18(17)25(28)29/h4-7,10-13,15H,1-3,8-9H2,(H,22,26)(H2,23,24,27,30)