4-chloranyl-N-(4-methanoylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 4-chloranyl-N-(4-methanoylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 4-chloro-N-(4-formylpiperazine-1-carbothioyl)benzamide CAS Name: 4-chloro-N-[(4-formyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-(4-formylpiperazine-1-carbothioyl)benzamide Traditional Name: 4-chloro-N-(4-formylpiperazine-1-carbothioyl)benzamide Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=S)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CCN1C=O)C(=S)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O2S/c14-11-3-1-10(2-4-11)12(19)15-13(20)17-7-5-16(9-18)6-8-17/h1-4,9H,5-8H2,(H,15,19,20)