3-(3,4-dimethoxyphenyl)-N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]propanamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]propanamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]propanamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[1-methyl-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-5-benzimidazolyl]propanamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[1-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzimidazol-5-yl]propanamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[1-methyl-2-[[(4-methylpyrimidin-2-yl)thio]methyl]benzimidazol-5-yl]propionamide Formula: C25H27N5O3S MolecularWeight: 477.57858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=O)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H27N5O3S/c1-16-11-12-26-25(27-16)34-15-23-29-19-14-18(7-8-20(19)30(23)2)28-24(31)10-6-17-5-9-21(32-3)22(13-17)33-4/h5,7-9,11-14H,6,10,15H2,1-4H3,(H,28,31)