N-[4-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[4-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[4-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[4-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[4-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[4-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H25NO3S/c1-21(2,3)13-20(24)22-16-8-10-18(11-9-16)26-14-19(23)15-6-5-7-17(12-15)25-4/h5-12H,13-14H2,1-4H3,(H,22,24)