N-[4-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[4-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[4-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[4-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CC(C)(C)C)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-14-5-6-16(11-18(14)22)24-20(26)13-27-17-9-7-15(8-10-17)23-19(25)12-21(2,3)4/h5-11H,12-13H2,1-4H3,(H,23,25)(H,24,26)