1-[[(1Z)-1-(4-oxidanylideneisoquinolin-1-ylidene)ethyl]amino]thiourea

Systemtic Name: 1-[[(1Z)-1-(4-oxidanylideneisoquinolin-1-ylidene)ethyl]amino]thiourea Openeye Name: [[(1Z)-1-(4-oxo-1-isoquinolylidene)ethyl]amino]thiourea CAS Name: [[(1Z)-1-(4-oxo-1-isoquinolinylidene)ethyl]amino]thiourea IUPAC Name: [[(1Z)-1-(4-oxoisoquinolin-1-ylidene)ethyl]amino]thiourea Traditional Name: [[(1Z)-1-(4-keto-1-isoquinolylidene)ethyl]amino]thiourea Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C2=CC=CC=C2C(=O)C=N1)NNC(=S)N

Isomeric SMILES

C/C(=C/1\C2=CC=CC=C2C(=O)C=N1)/NNC(=S)N

InChI

InChI=1S/C12H12N4OS/c1-7(15-16-12(13)18)11-9-5-3-2-4-8(9)10(17)6-14-11/h2-6,15H,1H3,(H3,13,16,18)/b11-7-