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

Systemtic Name: 2-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-methyl-benzamide Openeye Name: 2-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-methyl-benzamide CAS Name: 2-methoxy-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: 2-methoxy-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-methylbenzamide Traditional Name: 2-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-methyl-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-14-5-4-6-16(19(14)30-3)20(26)22-21(31)24-11-9-23(10-12-24)17-8-7-15(29-2)13-18(17)25(27)28/h4-8,13H,9-12H2,1-3H3,(H,22,26,31)