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

Systemtic Name: 2-azanyl-N-[1-(5-bromanyl-2-methyl-phenyl)-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[1-(5-bromo-2-methyl-phenyl)-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide CAS Name: 2-amino-N-[1-(5-bromo-2-methylphenyl)-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methylpropanamide IUPAC Name: 2-amino-N-[1-(5-bromo-2-methylphenyl)-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanylpropanamide Traditional Name: 2-amino-N-[1-(5-bromo-2-methyl-phenyl)-7-chloro-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C26H24BrClN4O2S MolecularWeight: 571.91636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)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=C(C=C1)Br)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/C26H24BrClN4O2S/c1-15-8-9-17(27)12-22(15)32-21-11-10-18(28)13-19(21)23(16-6-4-3-5-7-16)30-24(26(32)34)31(2)25(33)20(29)14-35/h3-13,20,24,35H,14,29H2,1-2H3