butyl N'-[(2-oxidanylideneindol-3-yl)amino]carbamimidothioate

Systemtic Name: butyl N'-[(2-oxidanylideneindol-3-yl)amino]carbamimidothioate Openeye Name: 2-butyl-3-[(2-oxoindol-3-yl)amino]isothiourea CAS Name: N'-[(2-oxo-3-indolyl)amino]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-[(2-oxoindol-3-yl)amino]carbamimidothioate Traditional Name: 2-butyl-3-[(2-ketoindol-3-yl)amino]isothiourea Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=NNC1=C2C=CC=CC2=NC1=O)N

Isomeric SMILES

CCCCS/C(=N/NC1=C2C=CC=CC2=NC1=O)/N

InChI

InChI=1S/C13H16N4OS/c1-2-3-8-19-13(14)17-16-11-9-6-4-5-7-10(9)15-12(11)18/h4-7H,2-3,8H2,1H3,(H2,14,17)(H,15,16,18)