S-[2-[3-(4-methylphenyl)prop-2-ynyl-(phenylmethyl)amino]phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[2-[3-(4-methylphenyl)prop-2-ynyl-(phenylmethyl)amino]phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[2-[benzyl-[3-(p-tolyl)prop-2-ynyl]amino]phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[2-[3-(4-methylphenyl)prop-2-ynyl-(phenylmethyl)amino]phenyl] ester IUPAC Name: S-[2-[benzyl-[3-(4-methylphenyl)prop-2-ynyl]amino]phenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[2-[benzyl-[3-(p-tolyl)prop-2-ynyl]amino]phenyl] ester Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC=C3SC(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CCN(CC2=CC=CC=C2)C3=CC=CC=C3SC(=O)N(C)C

InChI

InChI=1S/C26H26N2OS/c1-21-15-17-22(18-16-21)12-9-19-28(20-23-10-5-4-6-11-23)24-13-7-8-14-25(24)30-26(29)27(2)3/h4-8,10-11,13-18H,19-20H2,1-3H3