N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S/c27-21(16-12-18(25(28)29)14-19(13-16)26(30)31)24-22(33)23-17-6-8-20(9-7-17)32-11-10-15-4-2-1-3-5-15/h6-9,12-15H,1-5,10-11H2,(H2,23,24,27,33)