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

Systemtic Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]-piperonylamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N4O4S/c1-2-20(27)26-11-9-25(10-12-26)17-6-4-16(5-7-17)23-22(31)24-21(28)15-3-8-18-19(13-15)30-14-29-18/h3-8,13H,2,9-12,14H2,1H3,(H2,23,24,28,31)