N-(4-dimethylaminophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]-2-(4-fluorophenyl)ethanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]-2-(4-fluorophenyl)ethanamide Openeye Name: 2-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(4-dimethylaminophenyl)-2-(4-fluorophenyl)acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(phenylmethyl)amino]-2-(4-fluorophenyl)acetamide IUPAC Name: 2-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(4-dimethylaminophenyl)-2-(4-fluorophenyl)acetamide Traditional Name: 2-[benzyl-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-N-(4-dimethylaminophenyl)-2-(4-fluorophenyl)acetamide Formula: C31H32FN5O2S MolecularWeight: 557.681483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)N(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)N(C)C)C

InChI

InChI=1S/C31H32FN5O2S/c1-21-18-22(2)34-31(33-21)40-20-28(38)37(19-23-8-6-5-7-9-23)29(24-10-12-25(32)13-11-24)30(39)35-26-14-16-27(17-15-26)36(3)4/h5-18,29H,19-20H2,1-4H3,(H,35,39)