N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-(2-methylphenoxy)ethanamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-2-(2-methylphenoxy)acetamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

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