2-(4-methylphenoxy)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-ethanamide

Systemtic Name: 2-(4-methylphenoxy)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(4-methylphenoxy)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide CAS Name: 2-(4-methylphenoxy)-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-methylphenoxy)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(4-methylphenoxy)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-15-2-8-18(9-3-15)28-14-19(25)21-20(29)23-12-10-22(11-13-23)16-4-6-17(7-5-16)24(26)27/h2-9H,10-14H2,1H3,(H,21,25,29)