2-(4-chloranyl-2-methyl-phenoxy)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-ethanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4S/c1-14-12-15(21)2-7-18(14)29-13-19(26)22-20(30)24-10-8-23(9-11-24)16-3-5-17(6-4-16)25(27)28/h2-7,12H,8-11,13H2,1H3,(H,22,26,30)