2-methoxy-3-methyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 2-methoxy-3-methyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2-methoxy-3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 2-methoxy-3-methyl-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 2-methoxy-3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-14-4-3-5-17(18(14)28-2)19(25)21-20(29)23-12-10-22(11-13-23)15-6-8-16(9-7-15)24(26)27/h3-9H,10-13H2,1-2H3,(H,21,25,29)