1-[(Z)-[4-(2-azanylethylamino)isoquinolin-1-yl]methylideneamino]thiourea

Systemtic Name: 1-[(Z)-[4-(2-azanylethylamino)isoquinolin-1-yl]methylideneamino]thiourea Openeye Name: [(Z)-[4-(2-aminoethylamino)-1-isoquinolyl]methyleneamino]thiourea CAS Name: [(Z)-[4-(2-aminoethylamino)-1-isoquinolinyl]methylideneamino]thiourea IUPAC Name: [(Z)-[4-(2-aminoethylamino)isoquinolin-1-yl]methylideneamino]thiourea Traditional Name: [(Z)-[4-(2-aminoethylamino)-1-isoquinolyl]methyleneamino]thiourea Formula: C13H16N6S MolecularWeight: 288.37134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2C=NNC(=S)N)NCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2/C=N\NC(=S)N)NCCN

InChI

InChI=1S/C13H16N6S/c14-5-6-16-11-7-17-12(8-18-19-13(15)20)10-4-2-1-3-9(10)11/h1-4,7-8,16H,5-6,14H2,(H3,15,19,20)/b18-8-