2-acetamido-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-2-sulfanyl-propanamide

Systemtic Name: 2-acetamido-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-2-sulfanyl-propanamide Openeye Name: 2-acetamido-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-2-sulfanyl-propanamide CAS Name: 2-acetamido-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-2-mercaptopropanamide IUPAC Name: 2-acetamido-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-2-sulfanylpropanamide Traditional Name: 2-acetamido-N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-2-mercapto-propionamide Formula: C22H25FN4O2S MolecularWeight: 428.522903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(C(=O)NCC1CN=C(C2=CC=CC=C2N1C)C3=CC=CC=C3F)S

Isomeric SMILES

CC(=O)NC(C)(C(=O)NCC1CN=C(C2=CC=CC=C2N1C)C3=CC=CC=C3F)S

InChI

InChI=1S/C22H25FN4O2S/c1-14(28)26-22(2,30)21(29)25-13-15-12-24-20(16-8-4-6-10-18(16)23)17-9-5-7-11-19(17)27(15)3/h4-11,15,30H,12-13H2,1-3H3,(H,25,29)(H,26,28)