2-methyl-4-oxidanylidene-pentanethioic S-acid; 2-(4-methylphenyl)-1-phenyl-ethanamine

Systemtic Name: 2-methyl-4-oxidanylidene-pentanethioic S-acid; 2-(4-methylphenyl)-1-phenyl-ethanamine Openeye Name: 2-methyl-4-oxo-pentanethioic S-acid; 1-phenyl-2-(p-tolyl)ethanamine CAS Name: 2-methyl-4-oxopentanethioic S-acid; 2-(4-methylphenyl)-1-phenylethanamine IUPAC Name: 2-methyl-4-oxopentanethioic S-acid; 2-(4-methylphenyl)-1-phenylethanamine Traditional Name: 4-keto-2-methyl-thiovaleric acid; [1-phenyl-2-(p-tolyl)ethyl]amine Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C2=CC=CC=C2)N.CC(CC(=O)C)C(=O)S

Isomeric SMILES

CC1=CC=C(C=C1)CC(C2=CC=CC=C2)N.CC(CC(=O)C)C(=O)S

InChI

InChI=1S/C15H17N.C6H10O2S/c1-12-7-9-13(10-8-12)11-15(16)14-5-3-2-4-6-14;1-4(6(8)9)3-5(2)7/h2-10,15H,11,16H2,1H3;4H,3H2,1-2H3,(H,8,9)