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

Systemtic Name: 5-bromanyl-2-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-3-methyl-benzamide Openeye Name: 5-bromo-2-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-methyl-benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: 5-bromo-2-methoxy-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-methylbenzamide Traditional Name: 5-bromo-2-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-3-methyl-benzamide Formula: C21H23BrN4O5S MolecularWeight: 523.40012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O5S/c1-13-10-14(22)11-16(19(13)31-3)20(27)23-21(32)25-8-6-24(7-9-25)17-5-4-15(30-2)12-18(17)26(28)29/h4-5,10-12H,6-9H2,1-3H3,(H,23,27,32)