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

Systemtic Name: 3-chloranyl-N-(4-methylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-chloro-N-(4-methylpiperazine-1-carbothioyl)benzamide CAS Name: 3-chloro-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-(4-methylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-chloro-N-(4-methylpiperazine-1-carbothioyl)benzamide Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CN1CCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H16ClN3OS/c1-16-5-7-17(8-6-16)13(19)15-12(18)10-3-2-4-11(14)9-10/h2-4,9H,5-8H2,1H3,(H,15,18,19)