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

Systemtic Name: 3-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-methoxy-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methoxy-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-28-15-5-3-4-14(12-15)19(25)21-20(30)23-10-8-22(9-11-23)17-7-6-16(29-2)13-18(17)24(26)27/h3-7,12-13H,8-11H2,1-2H3,(H,21,25,30)