N-(2,6-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-sulfanylidene-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-sulfanylidene-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-thioxo-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(4-nitrophenyl)-1-piperazinyl]-2-sulfanylideneacetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-sulfanylideneacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazino]-2-thioxo-acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-14-4-3-5-15(2)18(14)21-19(25)20(28)23-12-10-22(11-13-23)16-6-8-17(9-7-16)24(26)27/h3-9H,10-13H2,1-2H3,(H,21,25)