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

Systemtic Name: 4-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethylcarbamothioyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethylcarbamothioyl]-4-methyl-benzamide CAS Name: 4-methyl-N-[[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethylcarbamothioyl]-4-methylbenzamide Traditional Name: N-[2-(4-benzylpiperazino)ethylthiocarbamoyl]-4-methyl-benzamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4OS/c1-18-7-9-20(10-8-18)21(27)24-22(28)23-11-12-25-13-15-26(16-14-25)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H2,23,24,27,28)