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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: 3-chloro-4-methyl-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2S/c1-3-4-21(29)28-13-11-27(12-14-28)19-9-7-18(8-10-19)25-23(31)26-22(30)17-6-5-16(2)20(24)15-17/h5-10,15H,3-4,11-14H2,1-2H3,(H2,25,26,30,31)