2-azanyl-N-[7-chloranyl-1-(2-chloranyl-3-methyl-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-chloranyl-3-methyl-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-chloro-3-methyl-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-chloro-3-methylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methylpropanamide IUPAC Name: 2-amino-N-[7-chloro-1-(2-chloro-3-methylphenyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanylpropanamide Traditional Name: 2-amino-N-[7-chloro-1-(2-chloro-3-methyl-phenyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C26H24Cl2N4O2S MolecularWeight: 527.46536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24Cl2N4O2S/c1-15-7-6-10-21(22(15)28)32-20-12-11-17(27)13-18(20)23(16-8-4-3-5-9-16)30-24(26(32)34)31(2)25(33)19(29)14-35/h3-13,19,24,35H,14,29H2,1-2H3