N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[4-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C22H26N2O4S/c1-14(21(26)24-16-7-10-18-19(11-16)28-13-27-18)29-17-8-5-15(6-9-17)23-20(25)12-22(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,23,25)(H,24,26)