hexyl N'-[(Z)-quinolin-4-ylmethylideneamino]carbamimidothioate

Systemtic Name: hexyl N'-[(Z)-quinolin-4-ylmethylideneamino]carbamimidothioate Openeye Name: 2-hexyl-3-[(Z)-4-quinolylmethyleneamino]isothiourea CAS Name: N'-[(Z)-4-quinolinylmethylideneamino]carbamimidothioic acid hexyl ester IUPAC Name: hexyl N'-[(Z)-quinolin-4-ylmethylideneamino]carbamimidothioate Traditional Name: 2-hexyl-3-[(Z)-4-quinolylmethyleneamino]isothiourea Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=NN=CC1=CC=NC2=CC=CC=C12)N

Isomeric SMILES

CCCCCCS/C(=N/N=C\C1=CC=NC2=CC=CC=C12)/N

InChI

InChI=1S/C17H22N4S/c1-2-3-4-7-12-22-17(18)21-20-13-14-10-11-19-16-9-6-5-8-15(14)16/h5-6,8-11,13H,2-4,7,12H2,1H3,(H2,18,21)/b20-13-