2-azanyl-N-[1-(2-cyano-6-methyl-phenyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-[1-(2-cyano-6-methyl-phenyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[1-(2-cyano-6-methyl-phenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide CAS Name: 2-amino-N-[1-(2-cyano-6-methylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methylpropanamide IUPAC Name: 2-amino-N-[1-(2-cyano-6-methylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanylpropanamide Traditional Name: 2-amino-N-[1-(2-cyano-6-methyl-phenyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C27H25N5O2S MolecularWeight: 483.5847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N2C3=CC=CC=C3C(=NC(C2=O)N(C)C(=O)C(CS)N)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC(=C1N2C3=CC=CC=C3C(=NC(C2=O)N(C)C(=O)C(CS)N)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H25N5O2S/c1-17-9-8-12-19(15-28)24(17)32-22-14-7-6-13-20(22)23(18-10-4-3-5-11-18)30-25(27(32)34)31(2)26(33)21(29)16-35/h3-14,21,25,35H,16,29H2,1-2H3