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

Systemtic Name: 3-chloranyl-N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-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=C3)Cl

Isomeric SMILES

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

InChI

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