4-chloranyl-N-[(4-methanoylpiperazin-1-yl)carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[(4-methanoylpiperazin-1-yl)carbamothioyl]benzamide Openeye Name: 4-chloro-N-[(4-formylpiperazin-1-yl)carbamothioyl]benzamide CAS Name: 4-chloro-N-[[(4-formyl-1-piperazinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[(4-formylpiperazin-1-yl)carbamothioyl]benzamide Traditional Name: 4-chloro-N-[(4-formylpiperazino)thiocarbamoyl]benzamide Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4O2S/c14-11-3-1-10(2-4-11)12(20)15-13(21)16-18-7-5-17(9-19)6-8-18/h1-4,9H,5-8H2,(H2,15,16,20,21)