N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C24H29ClN4O2S MolecularWeight: 473.03066

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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=C(C=C(C=C3)C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O2S/c1-4-5-22(30)29-12-10-28(11-13-29)21-9-7-18(15-20(21)25)26-24(32)27-23(31)19-8-6-16(2)14-17(19)3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H2,26,27,31,32)