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

Systemtic Name: 2-[(7-azanyl-1,2,5-dithiazocan-4-yl)carbonyl]-N-(2-oxidanylideneoxolan-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(7-amino-1,2,5-dithiazocane-4-carbonyl)-N-(2-oxotetrahydrofuran-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[(7-amino-1,2,5-dithiazocan-4-yl)-oxomethyl]-N-(2-oxo-3-oxolanyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(7-amino-1,2,5-dithiazocane-4-carbonyl)-N-(2-oxooxolan-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(7-amino-1,2,5-dithiazocane-4-carbonyl)-N-(2-ketotetrahydrofuran-3-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4CSSCC(CN4)N

Isomeric SMILES

C1COC(=O)C1NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4CSSCC(CN4)N

InChI

InChI=1S/C20H26N4O4S2/c21-14-8-22-16(11-30-29-10-14)19(26)24-9-13-4-2-1-3-12(13)7-17(24)18(25)23-15-5-6-28-20(15)27/h1-4,14-17,22H,5-11,21H2,(H,23,25)