N-[3-(dimethylamino)propyl]-3-phenyl-N-[2-(phenylmethylsulfanyl)phenyl]prop-2-ynamide

Systemtic Name: N-[3-(dimethylamino)propyl]-3-phenyl-N-[2-(phenylmethylsulfanyl)phenyl]prop-2-ynamide Openeye Name: N-(2-benzylsulfanylphenyl)-N-[3-(dimethylamino)propyl]-3-phenyl-prop-2-ynamide CAS Name: N-[3-(dimethylamino)propyl]-3-phenyl-N-[2-(phenylmethylthio)phenyl]-2-propynamide IUPAC Name: N-(2-benzylsulfanylphenyl)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-ynamide Traditional Name: N-[2-(benzylthio)phenyl]-N-[3-(dimethylamino)propyl]-3-phenyl-propiolamide Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCCN(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C27H28N2OS/c1-28(2)20-11-21-29(27(30)19-18-23-12-5-3-6-13-23)25-16-9-10-17-26(25)31-22-24-14-7-4-8-15-24/h3-10,12-17H,11,20-22H2,1-2H3