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

Systemtic Name: 3-butoxy-N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[3-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C26H33ClN4O3S MolecularWeight: 517.08322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C26H33ClN4O3S/c1-4-5-16-34-20-9-6-8-19(17-20)24(32)29-26(35)28-22-11-7-10-21(27)23(22)30-12-14-31(15-13-30)25(33)18(2)3/h6-11,17-18H,4-5,12-16H2,1-3H3,(H2,28,29,32,35)