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

Systemtic Name: 1-[(Z)-[4-(methylamino)isoquinolin-1-yl]methylideneamino]thiourea Openeye Name: [(Z)-[4-(methylamino)-1-isoquinolyl]methyleneamino]thiourea CAS Name: [(Z)-[4-(methylamino)-1-isoquinolinyl]methylideneamino]thiourea IUPAC Name: [(Z)-[4-(methylamino)isoquinolin-1-yl]methylideneamino]thiourea Traditional Name: [(Z)-[4-(methylamino)-1-isoquinolyl]methyleneamino]thiourea Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CN=C(C2=CC=CC=C21)C=NNC(=S)N

Isomeric SMILES

CNC1=CN=C(C2=CC=CC=C21)/C=N\NC(=S)N

InChI

InChI=1S/C12H13N5S/c1-14-10-6-15-11(7-16-17-12(13)18)9-5-3-2-4-8(9)10/h2-7,14H,1H3,(H3,13,17,18)/b16-7-