N-(1,3-benzodioxol-5-yl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]-2-(3-methoxy-4-oxidanyl-phenyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]-2-(3-methoxy-4-oxidanyl-phenyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-(4-hydroxy-3-methoxy-phenyl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(phenylmethyl)amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-(4-hydroxy-3-methoxyphenyl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[benzyl-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-2-(4-hydroxy-3-methoxy-phenyl)acetamide Formula: C31H30N4O6S MolecularWeight: 586.6581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=CC=C2)C(C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C31H30N4O6S/c1-19-13-20(2)33-31(32-19)42-17-28(37)35(16-21-7-5-4-6-8-21)29(22-9-11-24(36)26(14-22)39-3)30(38)34-23-10-12-25-27(15-23)41-18-40-25/h4-15,29,36H,16-18H2,1-3H3,(H,34,38)