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

Systemtic Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide CAS Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-[(2-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide Traditional Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-o-anisyl-acetamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NCC4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NCC4=CC=CC=C4OC

InChI

InChI=1S/C26H25N3O3S/c1-31-20-10-7-9-18(14-20)23-15-26(29-22-12-5-4-11-21(22)28-23)33-17-25(30)27-16-19-8-3-6-13-24(19)32-2/h3-14H,15-17H2,1-2H3,(H,27,30)