3,5-bis(bromanyl)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-benzamide

Systemtic Name: 3,5-bis(bromanyl)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-2-methoxy-benzamide Formula: C19H17Br2ClN4O4S MolecularWeight: 592.68868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])Br)Br

InChI

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