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

Systemtic Name: 3,3-dimethyl-N-[4-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanylphenyl]butanamide Openeye Name: N-[4-(2-anilino-1-methyl-2-oxo-ethyl)sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[4-[(1-anilino-1-oxopropan-2-yl)thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[4-[(2-anilino-2-keto-1-methyl-ethyl)thio]phenyl]-3,3-dimethyl-butyramide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-15(20(25)23-16-8-6-5-7-9-16)26-18-12-10-17(11-13-18)22-19(24)14-21(2,3)4/h5-13,15H,14H2,1-4H3,(H,22,24)(H,23,25)