1-[(E)-(7-azanylisoquinolin-1-yl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(7-azanylisoquinolin-1-yl)methylideneamino]thiourea Openeye Name: [(E)-(7-amino-1-isoquinolyl)methyleneamino]thiourea CAS Name: [(E)-(7-amino-1-isoquinolinyl)methylideneamino]thiourea IUPAC Name: [(E)-(7-aminoisoquinolin-1-yl)methylideneamino]thiourea Traditional Name: [(E)-(7-amino-1-isoquinolyl)methyleneamino]thiourea Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN=C2C=NNC(=S)N)N

Isomeric SMILES

C1=CC(=CC2=C1C=CN=C2/C=N/NC(=S)N)N

InChI

InChI=1S/C11H11N5S/c12-8-2-1-7-3-4-14-10(9(7)5-8)6-15-16-11(13)17/h1-6H,12H2,(H3,13,16,17)/b15-6+