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

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4S/c1-27(2,3)16-24(30)28-19-10-7-11-21(14-19)34-25(18-8-5-4-6-9-18)26(31)29-20-12-13-22-23(15-20)33-17-32-22/h4-15,25H,16-17H2,1-3H3,(H,28,30)(H,29,31)