[5-(carbamimidoylsulfanylmethyl)-2,4-di(propan-2-yl)phenyl]methyl carbamimidothioate

Systemtic Name: [5-(carbamimidoylsulfanylmethyl)-2,4-di(propan-2-yl)phenyl]methyl carbamimidothioate Openeye Name: 2-[[5-(carbamimidoylsulfanylmethyl)-2,4-diisopropyl-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [5-[(carbamimidoylthio)methyl]-2,4-di(propan-2-yl)phenyl]methyl ester IUPAC Name: [5-(carbamimidoylsulfanylmethyl)-2,4-di(propan-2-yl)phenyl]methyl carbamimidothioate Traditional Name: 2-[5-[(amidinothio)methyl]-2,4-diisopropyl-benzyl]isothiourea Formula: C16H26N4S2 MolecularWeight: 338.53444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1CSC(=N)N)CSC(=N)N)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1CSC(=N)N)CSC(=N)N)C(C)C

InChI

InChI=1S/C16H26N4S2/c1-9(2)13-6-14(10(3)4)12(8-22-16(19)20)5-11(13)7-21-15(17)18/h5-6,9-10H,7-8H2,1-4H3,(H3,17,18)(H3,19,20)