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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide Traditional Name: 2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-N-piperonyl-acetamide Formula: C26H23N3O4S MolecularWeight: 473.54352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O4S/c1-31-19-6-4-5-18(12-19)22-13-26(29-21-8-3-2-7-20(21)28-22)34-15-25(30)27-14-17-9-10-23-24(11-17)33-16-32-23/h2-12H,13-16H2,1H3,(H,27,30)