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

Systemtic Name: N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C21H21N5O6S MolecularWeight: 471.48634

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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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O6S/c27-19(13-10-15(25(29)30)12-16(11-13)26(31)32)24-21(33)23-18-9-5-4-8-17(18)20(28)22-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,22,28)(H2,23,24,27,33)