N-(2-tert-butylsulfanylethyl)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-(N-mesyl-3,4-dimethyl-anilino)propionamide Formula: C18H30N2O3S2 MolecularWeight: 386.5724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(C)C(=O)NCCSC(C)(C)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C(C)C(=O)NCCSC(C)(C)C)S(=O)(=O)C)C

InChI

InChI=1S/C18H30N2O3S2/c1-13-8-9-16(12-14(13)2)20(25(7,22)23)15(3)17(21)19-10-11-24-18(4,5)6/h8-9,12,15H,10-11H2,1-7H3,(H,19,21)