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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2S/c1-17-8-6-9-18(2)26(17)29-24(30)16-32-25-15-23(19-10-7-11-20(14-19)31-3)27-21-12-4-5-13-22(21)28-25/h4-14H,15-16H2,1-3H3,(H,29,30)