1-[(E)-[4-(2-hydroxyethyl)isoquinolin-3-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[4-(2-hydroxyethyl)isoquinolin-3-yl]methylideneamino]thiourea Openeye Name: [(E)-[4-(2-hydroxyethyl)-3-isoquinolyl]methyleneamino]thiourea CAS Name: [(E)-[4-(2-hydroxyethyl)-3-isoquinolinyl]methylideneamino]thiourea IUPAC Name: [(E)-[4-(2-hydroxyethyl)isoquinolin-3-yl]methylideneamino]thiourea Traditional Name: [(E)-[4-(2-hydroxyethyl)-3-isoquinolyl]methyleneamino]thiourea Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC(=C2CCO)C=NNC(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C=NC(=C2CCO)/C=N/NC(=S)N

InChI

InChI=1S/C13H14N4OS/c14-13(19)17-16-8-12-11(5-6-18)10-4-2-1-3-9(10)7-15-12/h1-4,7-8,18H,5-6H2,(H3,14,17,19)/b16-8+