N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]butanamide CAS Name: N-[4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]butanamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]butyramide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H24N2O4S/c1-2-6-23(28)26-18-9-12-20(13-10-18)32-24(17-7-4-3-5-8-17)25(29)27-19-11-14-21-22(15-19)31-16-30-21/h3-5,7-15,24H,2,6,16H2,1H3,(H,26,28)(H,27,29)