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

Systemtic Name: 2-chloranyl-N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-N-[[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-N-[[5-chloro-2-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C23H26Cl2N4O2S MolecularWeight: 493.44914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H26Cl2N4O2S/c1-15(2)13-21(30)29-11-9-28(10-12-29)20-8-7-16(24)14-19(20)26-23(32)27-22(31)17-5-3-4-6-18(17)25/h3-8,14-15H,9-13H2,1-2H3,(H2,26,27,31,32)