2-(dimethylamino)-2-(phenylmethyl)-1-[4-(3-sulfanylpropylamino)phenyl]butan-1-one

Systemtic Name: 2-(dimethylamino)-2-(phenylmethyl)-1-[4-(3-sulfanylpropylamino)phenyl]butan-1-one Openeye Name: 2-benzyl-2-(dimethylamino)-1-[4-(3-sulfanylpropylamino)phenyl]butan-1-one CAS Name: 2-(dimethylamino)-1-[4-(3-mercaptopropylamino)phenyl]-2-(phenylmethyl)-1-butanone IUPAC Name: 2-benzyl-2-(dimethylamino)-1-[4-(3-sulfanylpropylamino)phenyl]butan-1-one Traditional Name: 2-benzyl-2-(dimethylamino)-1-[4-(3-mercaptopropylamino)phenyl]butan-1-one Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2OS/c1-4-22(24(2)3,17-18-9-6-5-7-10-18)21(25)19-11-13-20(14-12-19)23-15-8-16-26/h5-7,9-14,23,26H,4,8,15-17H2,1-3H3