1-[[5-(4-dimethylaminophenyl)-2-(2-sulfanylethylamino)phenyl]methylamino]-2-methyl-propane-2-thiol

Systemtic Name: 1-[[5-(4-dimethylaminophenyl)-2-(2-sulfanylethylamino)phenyl]methylamino]-2-methyl-propane-2-thiol Openeye Name: 1-[[5-(4-dimethylaminophenyl)-2-(2-sulfanylethylamino)phenyl]methylamino]-2-methyl-propane-2-thiol CAS Name: 1-[[5-(4-dimethylaminophenyl)-2-(2-mercaptoethylamino)phenyl]methylamino]-2-methyl-2-propanethiol IUPAC Name: 1-[[5-(4-dimethylaminophenyl)-2-(2-sulfanylethylamino)phenyl]methylamino]-2-methylpropane-2-thiol Traditional Name: 1-[[5-(4-dimethylaminophenyl)-2-(2-mercaptoethylamino)benzyl]amino]-2-methyl-propane-2-thiol Formula: C21H31N3S2 MolecularWeight: 389.62094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNCC1=C(C=CC(=C1)C2=CC=C(C=C2)N(C)C)NCCS)S

Isomeric SMILES

CC(C)(CNCC1=C(C=CC(=C1)C2=CC=C(C=C2)N(C)C)NCCS)S

InChI

InChI=1S/C21H31N3S2/c1-21(2,26)15-22-14-18-13-17(7-10-20(18)23-11-12-25)16-5-8-19(9-6-16)24(3)4/h5-10,13,22-23,25-26H,11-12,14-15H2,1-4H3