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

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O4S/c1-21(2,3)11-19(24)22-14-5-4-6-16(9-14)28-12-20(25)23-15-7-8-17-18(10-15)27-13-26-17/h4-10H,11-13H2,1-3H3,(H,22,24)(H,23,25)