N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(1H-indol-3-yl)propanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(1H-indol-3-yl)propanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(1H-indol-3-yl)propanamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(1H-indol-3-yl)propanamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3-(1H-indol-3-yl)propionamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CNC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCC3=CNC4=CC=CC=C43)C

InChI

InChI=1S/C23H22N4OS/c1-15-13-16(2)26-23(25-15)29-19-10-8-18(9-11-19)27-22(28)12-7-17-14-24-21-6-4-3-5-20(17)21/h3-6,8-11,13-14,24H,7,12H2,1-2H3,(H,27,28)