4-chloranyl-N-(4-methylpiperazin-1-yl)carbothioyl-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(4-methylpiperazin-1-yl)carbothioyl-3-nitro-benzamide Openeye Name: 4-chloro-N-(4-methylpiperazine-1-carbothioyl)-3-nitro-benzamide CAS Name: 4-chloro-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-(4-methylpiperazine-1-carbothioyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(4-methylpiperazine-1-carbothioyl)-3-nitro-benzamide Formula: C13H15ClN4O3S MolecularWeight: 342.8012

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN4O3S/c1-16-4-6-17(7-5-16)13(22)15-12(19)9-2-3-10(14)11(8-9)18(20)21/h2-3,8H,4-7H2,1H3,(H,15,19,22)