S-[2-[3-(3-chlorophenyl)prop-2-ynylamino]phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[2-[3-(3-chlorophenyl)prop-2-ynylamino]phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[2-[3-(3-chlorophenyl)prop-2-ynylamino]phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[2-[3-(3-chlorophenyl)prop-2-ynylamino]phenyl] ester IUPAC Name: S-[2-[3-(3-chlorophenyl)prop-2-ynylamino]phenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[2-[3-(3-chlorophenyl)prop-2-ynylamino]phenyl] ester Formula: C18H17ClN2OS MolecularWeight: 344.85838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=CC=CC=C1NCC#CC2=CC(=CC=C2)Cl

Isomeric SMILES

CN(C)C(=O)SC1=CC=CC=C1NCC#CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H17ClN2OS/c1-21(2)18(22)23-17-11-4-3-10-16(17)20-12-6-8-14-7-5-9-15(19)13-14/h3-5,7,9-11,13,20H,12H2,1-2H3