S-[2-[3-(4-iodophenyl)prop-2-ynylamino]phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[2-[3-(4-iodophenyl)prop-2-ynylamino]phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[2-[3-(4-iodophenyl)prop-2-ynylamino]phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[2-[3-(4-iodophenyl)prop-2-ynylamino]phenyl] ester IUPAC Name: S-[2-[3-(4-iodophenyl)prop-2-ynylamino]phenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[2-[3-(4-iodophenyl)prop-2-ynylamino]phenyl] ester Formula: C18H17IN2OS MolecularWeight: 436.30985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17IN2OS/c1-21(2)18(22)23-17-8-4-3-7-16(17)20-13-5-6-14-9-11-15(19)12-10-14/h3-4,7-12,20H,13H2,1-2H3