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

Systemtic Name: N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c26-21(19-8-4-5-9-20(19)25(27)28)24-22(30)23-17-10-12-18(13-11-17)29-15-14-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2,(H2,23,24,26,30)