N-(4-dimethylaminophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]-3-methyl-butanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]-3-methyl-butanamide Openeye Name: 2-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(4-dimethylaminophenyl)-3-methyl-butanamide CAS Name: N-(4-dimethylaminophenyl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(phenylmethyl)amino]-3-methylbutanamide IUPAC Name: 2-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(4-dimethylaminophenyl)-3-methylbutanamide Traditional Name: 2-[benzyl-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-N-(4-dimethylaminophenyl)-3-methyl-butyramide Formula: C28H35N5O2S MolecularWeight: 505.6748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C(C)C)C(=O)NC3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C(C)C)C(=O)NC3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C28H35N5O2S/c1-19(2)26(27(35)31-23-12-14-24(15-13-23)32(5)6)33(17-22-10-8-7-9-11-22)25(34)18-36-28-29-20(3)16-21(4)30-28/h7-16,19,26H,17-18H2,1-6H3,(H,31,35)