N-[4-(2-methoxyphenyl)piperazin-1-yl]carbothioyl-4-nitro-benzamide

Systemtic Name: N-[4-(2-methoxyphenyl)piperazin-1-yl]carbothioyl-4-nitro-benzamide Openeye Name: N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]-4-nitro-benzamide CAS Name: N-[[4-(2-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]-4-nitrobenzamide Traditional Name: N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]-4-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-27-17-5-3-2-4-16(17)21-10-12-22(13-11-21)19(28)20-18(24)14-6-8-15(9-7-14)23(25)26/h2-9H,10-13H2,1H3,(H,20,24,28)