N-[4-(4-hydroxyphenyl)piperazin-1-yl]carbothioyl-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[4-(4-hydroxyphenyl)piperazin-1-yl]carbothioyl-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[4-(4-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]-4-methoxy-3-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-28-17-7-2-13(12-16(17)23(26)27)18(25)20-19(29)22-10-8-21(9-11-22)14-3-5-15(24)6-4-14/h2-7,12,24H,8-11H2,1H3,(H,20,25,29)