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

Systemtic Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(3S)-3-(4-fluorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C23H20FN5OS MolecularWeight: 433.501203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20FN5OS/c1-14-11-12-25-23(26-14)31-13-20(30)29-22-21(16-7-9-17(24)10-8-16)15(2)27-18-5-3-4-6-19(18)28-22/h3-12,21H,13H2,1-2H3,(H,28,29,30)/t21-/m1/s1