2-(dimethylamino)-2-methyl-3-phenyl-1-[4-(3-sulfanylpropylamino)phenyl]propan-1-one

Systemtic Name: 2-(dimethylamino)-2-methyl-3-phenyl-1-[4-(3-sulfanylpropylamino)phenyl]propan-1-one Openeye Name: 2-(dimethylamino)-2-methyl-3-phenyl-1-[4-(3-sulfanylpropylamino)phenyl]propan-1-one CAS Name: 2-(dimethylamino)-1-[4-(3-mercaptopropylamino)phenyl]-2-methyl-3-phenyl-1-propanone IUPAC Name: 2-(dimethylamino)-2-methyl-3-phenyl-1-[4-(3-sulfanylpropylamino)phenyl]propan-1-one Traditional Name: 2-(dimethylamino)-1-[4-(3-mercaptopropylamino)phenyl]-2-methyl-3-phenyl-propan-1-one Formula: C21H28N2OS MolecularWeight: 356.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)NCCCS)N(C)C

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)NCCCS)N(C)C

InChI

InChI=1S/C21H28N2OS/c1-21(23(2)3,16-17-8-5-4-6-9-17)20(24)18-10-12-19(13-11-18)22-14-7-15-25/h4-6,8-13,22,25H,7,14-16H2,1-3H3