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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-2,4-dimethoxy-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2,4-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,4-dimethoxybenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,4-dimethoxybenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2,4-dimethoxy-benzamide Formula: C24H29ClN4O4S MolecularWeight: 505.02946

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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)OC)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O4S/c1-4-5-22(30)29-12-10-28(11-13-29)20-9-6-16(14-19(20)25)26-24(34)27-23(31)18-8-7-17(32-2)15-21(18)33-3/h6-9,14-15H,4-5,10-13H2,1-3H3,(H2,26,27,31,34)