N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2=NC3=CC=CC=C3N=C(C2C4=CC=CC=C4)C

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2=NC3=CC=CC=C3N=C([C@H]2C4=CC=CC=C4)C

InChI

InChI=1S/C23H21N5OS/c1-15-12-13-24-23(25-15)30-14-20(29)28-22-21(17-8-4-3-5-9-17)16(2)26-18-10-6-7-11-19(18)27-22/h3-13,21H,14H2,1-2H3,(H,27,28,29)/t21-/m0/s1