N-(1,3-benzodioxol-5-yl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]-2-(4-methylphenyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]-2-(4-methylphenyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(3-pyridylmethyl)amino]-2-(p-tolyl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(3-pyridinylmethyl)amino]-2-(4-methylphenyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(pyridin-3-ylmethyl)amino]-2-(4-methylphenyl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-(3-pyridylmethyl)amino]-2-(p-tolyl)acetamide Formula: C30H29N5O4S MolecularWeight: 555.64736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CN=CC=C4)C(=O)CSC5=NC(=CC(=N5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CN=CC=C4)C(=O)CSC5=NC(=CC(=N5)C)C

InChI

InChI=1S/C30H29N5O4S/c1-19-6-8-23(9-7-19)28(29(37)34-24-10-11-25-26(14-24)39-18-38-25)35(16-22-5-4-12-31-15-22)27(36)17-40-30-32-20(2)13-21(3)33-30/h4-15,28H,16-18H2,1-3H3,(H,34,37)