S-(isoquinolin-1-ylamino) N-(5-oxidanylidene-2H-furan-3-yl)carbamothioate

Systemtic Name: S-(isoquinolin-1-ylamino) N-(5-oxidanylidene-2H-furan-3-yl)carbamothioate Openeye Name: S-(1-isoquinolylamino) N-(5-oxo-2H-furan-3-yl)carbamothioate CAS Name: N-(5-oxo-2H-furan-3-yl)carbamothioic acid S-(1-isoquinolinylamino) ester IUPAC Name: S-(isoquinolin-1-ylamino) N-(5-oxo-2H-furan-3-yl)carbamothioate Traditional Name: N-(5-keto-2H-furan-3-yl)thiocarbamic acid S-(1-isoquinolylamino) ester Formula: C14H11N3O3S MolecularWeight: 301.32044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=O)O1)NC(=O)SNC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1C(=CC(=O)O1)NC(=O)SNC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C14H11N3O3S/c18-12-7-10(8-20-12)16-14(19)21-17-13-11-4-2-1-3-9(11)5-6-15-13/h1-7H,8H2,(H,15,17)(H,16,19)