methyl N-ethyl-N'-[[3-[[[ethylamino(methylsulfanyl)methylidene]amino]methyl]phenyl]methyl]carbamimidothioate

Systemtic Name: methyl N-ethyl-N'-[[3-[[[ethylamino(methylsulfanyl)methylidene]amino]methyl]phenyl]methyl]carbamimidothioate Openeye Name: 1-ethyl-3-[[3-[[[ethylamino(methylsulfanyl)methylene]amino]methyl]phenyl]methyl]-2-methyl-isothiourea CAS Name: N-ethyl-N'-[[3-[[[ethylamino-(methylthio)methylidene]amino]methyl]phenyl]methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-ethyl-N'-[[3-[[[ethylamino(methylsulfanyl)methylidene]amino]methyl]phenyl]methyl]carbamimidothioate Traditional Name: 1-ethyl-3-[3-[[[ethylamino-(methylthio)methylene]amino]methyl]benzyl]-2-methyl-isothiourea Formula: C16H26N4S2 MolecularWeight: 338.53444

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC1=CC(=CC=C1)CN=C(NCC)SC)SC

Isomeric SMILES

CCNC(=NCC1=CC(=CC=C1)CN=C(NCC)SC)SC

InChI

InChI=1S/C16H26N4S2/c1-5-17-15(21-3)19-11-13-8-7-9-14(10-13)12-20-16(22-4)18-6-2/h7-10H,5-6,11-12H2,1-4H3,(H,17,19)(H,18,20)