3-bromanyl-4-methoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-bromo-4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C19H19BrN4O4S MolecularWeight: 479.34756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O4S/c1-28-17-7-2-13(12-16(17)20)18(25)21-19(29)23-10-8-22(9-11-23)14-3-5-15(6-4-14)24(26)27/h2-7,12H,8-11H2,1H3,(H,21,25,29)