N-[4,5-dimethyl-3-[(S)-phenyl-(pyrimidin-2-ylamino)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyrimidin-2-ylamino)methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyrimidin-2-ylamino)methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(S)-phenyl-(2-pyrimidinylamino)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-phenyl-(pyrimidin-2-ylamino)methyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(S)-phenyl-(2-pyrimidylamino)methyl]-2-thienyl]benzamide Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=CC=C2)NC3=NC=CC=N3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=CC=C2)NC3=NC=CC=N3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H22N4OS/c1-16-17(2)30-23(28-22(29)19-12-7-4-8-13-19)20(16)21(18-10-5-3-6-11-18)27-24-25-14-9-15-26-24/h3-15,21H,1-2H3,(H,28,29)(H,25,26,27)/t21-/m0/s1