2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Formula: C25H20N4OS2 MolecularWeight: 456.5825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@@H]1C3=CC=CC=C3)NC(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H20N4OS2/c1-16-23(17-9-3-2-4-10-17)24(27-19-12-6-5-11-18(19)26-16)29-22(30)15-31-25-28-20-13-7-8-14-21(20)32-25/h2-14,23H,15H2,1H3,(H,27,29,30)/t23-/m0/s1