1-[(E)-isoquinolin-1-ylmethylideneamino]-3-(methylamino)thiourea

Systemtic Name: 1-[(E)-isoquinolin-1-ylmethylideneamino]-3-(methylamino)thiourea Openeye Name: 1-[(E)-1-isoquinolylmethyleneamino]-3-(methylamino)thiourea CAS Name: 1-[(E)-1-isoquinolinylmethylideneamino]-3-(methylamino)thiourea IUPAC Name: 1-[(E)-isoquinolin-1-ylmethylideneamino]-3-(methylamino)thiourea Traditional Name: 1-[(E)-1-isoquinolylmethyleneamino]-3-(methylamino)thiourea Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

CNNC(=S)NN=CC1=NC=CC2=CC=CC=C21

Isomeric SMILES

CNNC(=S)N/N=C/C1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C12H13N5S/c1-13-16-12(18)17-15-8-11-10-5-3-2-4-9(10)6-7-14-11/h2-8,13H,1H3,(H2,16,17,18)/b15-8+