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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2S/c1-18-10-12-19(13-11-18)16-27-25(30)17-32-26-15-24(20-6-5-7-21(14-20)31-2)28-22-8-3-4-9-23(22)29-26/h3-14H,15-17H2,1-2H3,(H,27,30)