3-chloranyl-2,2-dimethyl-N-[2-[(4-methyl-3-nitro-phenyl)methylsulfanyl]phenyl]propanamide

Systemtic Name: 3-chloranyl-2,2-dimethyl-N-[2-[(4-methyl-3-nitro-phenyl)methylsulfanyl]phenyl]propanamide Openeye Name: 3-chloro-2,2-dimethyl-N-[2-[(4-methyl-3-nitro-phenyl)methylsulfanyl]phenyl]propanamide CAS Name: 3-chloro-2,2-dimethyl-N-[2-[(4-methyl-3-nitrophenyl)methylthio]phenyl]propanamide IUPAC Name: 3-chloro-2,2-dimethyl-N-[2-[(4-methyl-3-nitrophenyl)methylsulfanyl]phenyl]propanamide Traditional Name: 3-chloro-2,2-dimethyl-N-[2-[(4-methyl-3-nitro-benzyl)thio]phenyl]propionamide Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=CC=CC=C2NC(=O)C(C)(C)CCl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=CC=CC=C2NC(=O)C(C)(C)CCl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN2O3S/c1-13-8-9-14(10-16(13)22(24)25)11-26-17-7-5-4-6-15(17)21-18(23)19(2,3)12-20/h4-10H,11-12H2,1-3H3,(H,21,23)