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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c26-21(17-6-10-19(11-7-17)25(27)28)24-22(30)23-18-8-12-20(13-9-18)29-15-14-16-4-2-1-3-5-16/h6-13,16H,1-5,14-15H2,(H2,23,24,26,30)