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

Systemtic Name: 3-methyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-methyl-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-14-3-2-4-15(13-14)18(24)20-19(27)22-11-9-21(10-12-22)16-5-7-17(8-6-16)23(25)26/h2-8,13H,9-12H2,1H3,(H,20,24,27)