N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]cyclopropanecarboxamide CAS Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]cyclopropanecarboxamide Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O4S/c28-24(17-9-10-17)26-18-7-4-8-20(13-18)32-23(16-5-2-1-3-6-16)25(29)27-19-11-12-21-22(14-19)31-15-30-21/h1-8,11-14,17,23H,9-10,15H2,(H,26,28)(H,27,29)