N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-3-chloranyl-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-3-chloranyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-3-chloro-benzamide CAS Name: 3-chloro-N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3-chlorobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-3-chloro-benzamide Formula: C22H24Cl2N4O2S MolecularWeight: 479.42256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N4O2S/c1-2-4-20(29)28-11-9-27(10-12-28)19-8-7-17(14-18(19)24)25-22(31)26-21(30)15-5-3-6-16(23)13-15/h3,5-8,13-14H,2,4,9-12H2,1H3,(H2,25,26,30,31)