4-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylimidazol-1-yl]-N-butyl-benzamide

Systemtic Name: 4-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylimidazol-1-yl]-N-butyl-benzamide Openeye Name: 4-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylimidazol-1-yl]-N-butyl-benzamide CAS Name: 4-[2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-1-imidazolyl]-N-butylbenzamide IUPAC Name: 4-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-butylbenzamide Traditional Name: 4-[2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]imidazol-1-yl]-N-butyl-benzamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H24N4O4S/c1-2-3-10-24-22(29)16-4-7-18(8-5-16)27-12-11-25-23(27)32-14-21(28)26-17-6-9-19-20(13-17)31-15-30-19/h4-9,11-13H,2-3,10,14-15H2,1H3,(H,24,29)(H,26,28)