butyl N'-[(E)-(phenylmethylidene)amino]carbamimidothioate

Systemtic Name: butyl N'-[(E)-(phenylmethylidene)amino]carbamimidothioate Openeye Name: 3-[(E)-benzylideneamino]-2-butyl-isothiourea CAS Name: N'-[(E)-(phenylmethylene)amino]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-[(E)-benzylideneamino]carbamimidothioate Traditional Name: 3-[(E)-benzalamino]-2-butyl-isothiourea Formula: C12H17N3S MolecularWeight: 235.34848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=NN=CC1=CC=CC=C1)N

Isomeric SMILES

CCCCS/C(=N/N=C/C1=CC=CC=C1)/N

InChI

InChI=1S/C12H17N3S/c1-2-3-9-16-12(13)15-14-10-11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,13,15)/b14-10+