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

Systemtic Name: N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-(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=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

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