N-[3-[1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[3-[1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-[2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[3-[[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[3-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[3-[[2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C22H27ClN2O3S/c1-14(21(27)25-16-9-10-19(28-5)18(23)12-16)29-17-8-6-7-15(11-17)24-20(26)13-22(2,3)4/h6-12,14H,13H2,1-5H3,(H,24,26)(H,25,27)