2-chloranyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethylcarbamothioyl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethylcarbamothioyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethylcarbamothioyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethylcarbamothioyl]-2-chlorobenzamide Traditional Name: N-[2-(4-benzylpiperazino)ethylthiocarbamoyl]-2-chloro-benzamide Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=S)NC(=O)C2=CC=CC=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCNC(=S)NC(=O)C2=CC=CC=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN4OS/c22-19-9-5-4-8-18(19)20(27)24-21(28)23-10-11-25-12-14-26(15-13-25)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H2,23,24,27,28)