N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoyl]-3-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(17-7-4-8-19(15-17)25(27)28)24-22(30)23-18-9-11-20(12-10-18)29-14-13-16-5-2-1-3-6-16/h4,7-12,15-16H,1-3,5-6,13-14H2,(H2,23,24,26,30)