2-methyl-N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-methyl-N-[[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[4-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-19-7-5-6-10-23(19)24(31)28-26(33)27-21-11-13-22(14-12-21)29-15-17-30(18-16-29)25(32)20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H2,27,28,31,33)