2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]acetamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3OS/c1-17-13-18(2)26(19(3)14-17)29-24(30)16-31-25-15-23(20-9-5-4-6-10-20)27-21-11-7-8-12-22(21)28-25/h4-14H,15-16H2,1-3H3,(H,29,30)