2-acetamido-N-methyl-N-[2-oxidanylidene-1-(2-oxidanylideneethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide

Systemtic Name: 2-acetamido-N-methyl-N-[2-oxidanylidene-1-(2-oxidanylideneethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide Openeye Name: 2-acetamido-N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide CAS Name: 2-acetamido-3-mercapto-N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-acetamido-N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanylpropanamide Traditional Name: 2-acetamido-N-[2-keto-1-(2-ketoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C23H24N4O4S MolecularWeight: 452.52606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)N(C)C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC=O

Isomeric SMILES

CC(=O)NC(CS)C(=O)N(C)C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC=O

InChI

InChI=1S/C23H24N4O4S/c1-15(29)24-18(14-32)22(30)26(2)21-23(31)27(12-13-28)19-11-7-6-10-17(19)20(25-21)16-8-4-3-5-9-16/h3-11,13,18,21,32H,12,14H2,1-2H3,(H,24,29)