(phenylmethyl) N'-[(Z)-3,3-dimethylbutan-2-ylideneamino]carbamimidothioate hydrochloride

Systemtic Name: (phenylmethyl) N'-[(Z)-3,3-dimethylbutan-2-ylideneamino]carbamimidothioate hydrochloride Openeye Name: 2-benzyl-3-[(Z)-1,2,2-trimethylpropylideneamino]isothiourea hydrochloride CAS Name: N'-[(Z)-3,3-dimethylbutan-2-ylideneamino]carbamimidothioic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N'-[(Z)-3,3-dimethylbutan-2-ylideneamino]carbamimidothioate hydrochloride Traditional Name: 2-benzyl-3-[(Z)-1,2,2-trimethylpropylideneamino]isothiourea hydrochloride Formula: C14H22ClN3S MolecularWeight: 299.86258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N)SCC1=CC=CC=C1)C(C)(C)C.Cl

Isomeric SMILES

C/C(=N/N=C(/N)\SCC1=CC=CC=C1)/C(C)(C)C.Cl

InChI

InChI=1S/C14H21N3S.ClH/c1-11(14(2,3)4)16-17-13(15)18-10-12-8-6-5-7-9-12;/h5-9H,10H2,1-4H3,(H2,15,17);1H/b16-11-;