2-[(7-azanyl-3,3-dimethyl-1,2,5-dithiazocan-4-yl)carbonyl]-N-(2-oxidanylideneoxolan-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[(7-azanyl-3,3-dimethyl-1,2,5-dithiazocan-4-yl)carbonyl]-N-(2-oxidanylideneoxolan-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(7-amino-3,3-dimethyl-1,2,5-dithiazocane-4-carbonyl)-N-(2-oxotetrahydrofuran-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[(7-amino-3,3-dimethyl-1,2,5-dithiazocan-4-yl)-oxomethyl]-N-(2-oxo-3-oxolanyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(7-amino-3,3-dimethyl-1,2,5-dithiazocane-4-carbonyl)-N-(2-oxooxolan-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(7-amino-3,3-dimethyl-1,2,5-dithiazocane-4-carbonyl)-N-(2-ketotetrahydrofuran-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NCC(CSS1)N)C(=O)N2CC3=CC=CC=C3CC2C(=O)NC4CCOC4=O)C

Isomeric SMILES

CC1(C(NCC(CSS1)N)C(=O)N2CC3=CC=CC=C3CC2C(=O)NC4CCOC4=O)C

InChI

InChI=1S/C22H30N4O4S2/c1-22(2)18(24-10-15(23)12-31-32-22)20(28)26-11-14-6-4-3-5-13(14)9-17(26)19(27)25-16-7-8-30-21(16)29/h3-6,15-18,24H,7-12,23H2,1-2H3,(H,25,27)