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

Systemtic Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-(1-naphthyl)acetamide Formula: C28H23N3O2S MolecularWeight: 465.56612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H23N3O2S/c1-33-21-11-6-10-20(16-21)26-17-28(31-25-14-5-4-13-24(25)29-26)34-18-27(32)30-23-15-7-9-19-8-2-3-12-22(19)23/h2-16H,17-18H2,1H3,(H,30,32)