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

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-3-nitro-benzamide Formula: C20H21N5O6S MolecularWeight: 459.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O6S/c1-13-3-4-14(11-17(13)24(27)28)19(26)21-20(32)23-9-7-22(8-10-23)16-6-5-15(31-2)12-18(16)25(29)30/h3-6,11-12H,7-10H2,1-2H3,(H,21,26,32)