2-azanyl-N-[7-chloranyl-1-(2-methyl-5-nitro-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-5-nitro-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-5-nitro-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-5-nitrophenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methylpropanamide IUPAC Name: 2-amino-N-[7-chloro-1-(2-methyl-5-nitrophenyl)-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-5-nitro-phenyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C26H24ClN5O4S MolecularWeight: 538.01786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])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)[N+](=O)[O-])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/C26H24ClN5O4S/c1-15-8-10-18(32(35)36)13-22(15)31-21-11-9-17(27)12-19(21)23(16-6-4-3-5-7-16)29-24(26(31)34)30(2)25(33)20(28)14-37/h3-13,20,24,37H,14,28H2,1-2H3