N-[[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[5-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C(C)C

InChI

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