N-[2-[(4-phenylpiperazin-1-yl)carbothioylamino]ethylcarbamothioyl]benzamide

Systemtic Name: N-[2-[(4-phenylpiperazin-1-yl)carbothioylamino]ethylcarbamothioyl]benzamide Openeye Name: N-[2-[(4-phenylpiperazine-1-carbothioyl)amino]ethylcarbamothioyl]benzamide CAS Name: N-[[2-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[2-[(4-phenylpiperazine-1-carbothioyl)amino]ethylcarbamothioyl]benzamide Traditional Name: N-[2-[(4-phenylpiperazine-1-carbothioyl)amino]ethylthiocarbamoyl]benzamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NCCNC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NCCNC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS2/c27-19(17-7-3-1-4-8-17)24-20(28)22-11-12-23-21(29)26-15-13-25(14-16-26)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,23,29)(H2,22,24,27,28)