5-[3-[(4-azanyl-1-oxidanylidene-1,2,5-thiadiazol-3-yl)amino]propoxy]-2H-isoquinolin-1-one

Systemtic Name: 5-[3-[(4-azanyl-1-oxidanylidene-1,2,5-thiadiazol-3-yl)amino]propoxy]-2H-isoquinolin-1-one Openeye Name: 5-[3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]propoxy]-2H-isoquinolin-1-one CAS Name: 5-[3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]propoxy]-2H-isoquinolin-1-one IUPAC Name: 5-[3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]propoxy]-2H-isoquinolin-1-one Traditional Name: 5-[3-[(4-amino-1-keto-1,2,5-thiadiazol-3-yl)amino]propoxy]isocarbostyril Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CNC2=O)C(=C1)OCCCNC3=NS(=O)N=C3N

Isomeric SMILES

C1=CC2=C(C=CNC2=O)C(=C1)OCCCNC3=NS(=O)N=C3N

InChI

InChI=1S/C14H15N5O3S/c15-12-13(19-23(21)18-12)16-6-2-8-22-11-4-1-3-10-9(11)5-7-17-14(10)20/h1,3-5,7H,2,6,8H2,(H2,15,18)(H,16,19)(H,17,20)