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

Systemtic Name: 3-methoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-methoxy-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-27-17-4-2-3-14(13-17)18(24)20-19(28)22-11-9-21(10-12-22)15-5-7-16(8-6-15)23(25)26/h2-8,13H,9-12H2,1H3,(H,20,24,28)