3-(7-azanyl-4-chloranyl-1-oxidanylidene-isochromen-3-yl)oxypropyl carbamimidothioate

Systemtic Name: 3-(7-azanyl-4-chloranyl-1-oxidanylidene-isochromen-3-yl)oxypropyl carbamimidothioate Openeye Name: 2-[3-(7-amino-4-chloro-1-oxo-isochromen-3-yl)oxypropyl]isothiourea CAS Name: carbamimidothioic acid 3-[(7-amino-4-chloro-1-oxo-2-benzopyran-3-yl)oxy]propyl ester IUPAC Name: 3-(7-amino-4-chloro-1-oxoisochromen-3-yl)oxypropyl carbamimidothioate Traditional Name: 2-[3-(7-amino-4-chloro-1-keto-isochromen-3-yl)oxypropyl]isothiourea Formula: C13H14ClN3O3S MolecularWeight: 327.78656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)C(=O)OC(=C2Cl)OCCCSC(=N)N

Isomeric SMILES

C1=CC2=C(C=C1N)C(=O)OC(=C2Cl)OCCCSC(=N)N

InChI

InChI=1S/C13H14ClN3O3S/c14-10-8-3-2-7(15)6-9(8)11(18)20-12(10)19-4-1-5-21-13(16)17/h2-3,6H,1,4-5,15H2,(H3,16,17)