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

Systemtic Name: 3,5-bis(bromanyl)-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-benzamide Formula: C19H17Br2ClN4O4S MolecularWeight: 592.68868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Br)Br

InChI

InChI=1S/C19H17Br2ClN4O4S/c1-30-17-13(8-11(20)9-14(17)21)18(27)23-19(31)25-6-4-24(5-7-25)16-3-2-12(26(28)29)10-15(16)22/h2-3,8-10H,4-7H2,1H3,(H,23,27,31)