(2,3,4,5,6-pentamethylphenyl)methyl N'-azanylcarbamimidothioate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl N'-azanylcarbamimidothioate Openeye Name: 3-amino-2-[(2,3,4,5,6-pentamethylphenyl)methyl]isothiourea CAS Name: N'-aminocarbamimidothioic acid (2,3,4,5,6-pentamethylphenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl N'-aminocarbamimidothioate Traditional Name: 3-amino-2-(2,3,4,5,6-pentamethylbenzyl)isothiourea Formula: C13H21N3S MolecularWeight: 251.39094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC(=NN)N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CS/C(=N/N)/N)C)C

InChI

InChI=1S/C13H21N3S/c1-7-8(2)10(4)12(11(5)9(7)3)6-17-13(14)16-15/h6,15H2,1-5H3,(H2,14,16)