N-(4-chlorophenyl)-N-[methyl(phenethyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-(4-chlorophenyl)-N-[methyl(phenethyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-(4-chlorophenyl)-N-[methyl(phenethyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-(4-chlorophenyl)-N-[[methyl(phenethyl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-(4-chlorophenyl)-N-[methyl(phenethyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-(4-chlorophenyl)-N-[methyl(phenethyl)thiocarbamoyl]-4-nitro-benzamide Formula: C23H20ClN3O3S MolecularWeight: 453.9412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=S)N(C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=S)N(C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN3O3S/c1-25(16-15-17-5-3-2-4-6-17)23(31)26(20-13-9-19(24)10-14-20)22(28)18-7-11-21(12-8-18)27(29)30/h2-14H,15-16H2,1H3