S-undecyl 2-[methyl-(phenylmethyl)amino]-2-phenyl-ethanethioate

Systemtic Name: S-undecyl 2-[methyl-(phenylmethyl)amino]-2-phenyl-ethanethioate Openeye Name: S-undecyl 2-[benzyl(methyl)amino]-2-phenyl-ethanethioate CAS Name: 2-[methyl-(phenylmethyl)amino]-2-phenylethanethioic acid S-undecyl ester IUPAC Name: S-undecyl 2-[benzyl(methyl)amino]-2-phenylethanethioate Traditional Name: 2-[benzyl(methyl)amino]-2-phenyl-ethanethioic acid S-undecyl ester Formula: C27H39NOS MolecularWeight: 425.66966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC(=O)C(C1=CC=CC=C1)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCSC(=O)C(C1=CC=CC=C1)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C27H39NOS/c1-3-4-5-6-7-8-9-10-17-22-30-27(29)26(25-20-15-12-16-21-25)28(2)23-24-18-13-11-14-19-24/h11-16,18-21,26H,3-10,17,22-23H2,1-2H3