N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]-2-(2-pyrimidylthio)acetamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=CC=C3)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C22H19N5OS/c1-15-20(16-8-3-2-4-9-16)21(26-18-11-6-5-10-17(18)25-15)27-19(28)14-29-22-23-12-7-13-24-22/h2-13,20H,14H2,1H3,(H,26,27,28)/t20-/m1/s1