3-chloranyl-4-methyl-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methyl-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-methyl-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-methyl-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methyl-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C(C)C)Cl

InChI

InChI=1S/C23H27ClN4O2S/c1-15(2)22(30)28-12-10-27(11-13-28)20-7-5-4-6-19(20)25-23(31)26-21(29)17-9-8-16(3)18(24)14-17/h4-9,14-15H,10-13H2,1-3H3,(H2,25,26,29,31)