N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-piperonylamide Formula: C23H25ClN4O4S MolecularWeight: 488.987

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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=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C23H25ClN4O4S/c1-2-3-21(29)28-10-8-27(9-11-28)18-6-5-16(13-17(18)24)25-23(33)26-22(30)15-4-7-19-20(12-15)32-14-31-19/h4-7,12-13H,2-3,8-11,14H2,1H3,(H2,25,26,30,33)