2-azanyl-N-[7-chloranyl-1-[2-methyl-6-(trifluoromethyl)phenyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-[7-chloranyl-1-[2-methyl-6-(trifluoromethyl)phenyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[7-chloro-1-[2-methyl-6-(trifluoromethyl)phenyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide CAS Name: 2-amino-N-[7-chloro-1-[2-methyl-6-(trifluoromethyl)phenyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methylpropanamide IUPAC Name: 2-amino-N-[7-chloro-1-[2-methyl-6-(trifluoromethyl)phenyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanylpropanamide Traditional Name: 2-amino-N-[7-chloro-2-keto-1-[2-methyl-6-(trifluoromethyl)phenyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C27H24ClF3N4O2S MolecularWeight: 561.01827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(F)(F)F)N2C3=C(C=C(C=C3)Cl)C(=NC(C2=O)N(C)C(=O)C(CS)N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(F)(F)F)N2C3=C(C=C(C=C3)Cl)C(=NC(C2=O)N(C)C(=O)C(CS)N)C4=CC=CC=C4

InChI

InChI=1S/C27H24ClF3N4O2S/c1-15-7-6-10-19(27(29,30)31)23(15)35-21-12-11-17(28)13-18(21)22(16-8-4-3-5-9-16)33-24(26(35)37)34(2)25(36)20(32)14-38/h3-13,20,24,38H,14,32H2,1-2H3