1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-4-(1,2,5-thiadiazol-3-ylcarbonyl)-1,4-diazepan-2-one

Systemtic Name: 1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-4-(1,2,5-thiadiazol-3-ylcarbonyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(1,2,5-thiadiazole-3-carbonyl)-1,4-diazepan-2-one CAS Name: 1-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-[oxo(1,2,5-thiadiazol-3-yl)methyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylmethoxy-4-(1,2,5-thiadiazole-3-carbonyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-[3-(2-ketopyrrolidino)propyl]-4-(1,2,5-thiadiazole-3-carbonyl)-1,4-diazepan-2-one Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN2CC(CN(CC2=O)C(=O)C3=NSN=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CCCN2CC(CN(CC2=O)C(=O)C3=NSN=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O4S/c28-20-8-4-9-25(20)10-5-11-26-13-18(31-16-17-6-2-1-3-7-17)14-27(15-21(26)29)22(30)19-12-23-32-24-19/h1-3,6-7,12,18H,4-5,8-11,13-16H2