methyl N'-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]carbamimidothioate

Systemtic Name: methyl N'-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]carbamimidothioate Openeye Name: N-[4-[2-[4-[[amino(methylsulfanyl)methylene]amino]phenyl]ethyl]thiazol-2-yl]acetamide CAS Name: N'-[4-[2-(2-acetamido-4-thiazolyl)ethyl]phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]carbamimidothioate Traditional Name: N-[4-[2-[4-[[amino-(methylthio)methylene]amino]phenyl]ethyl]thiazol-2-yl]acetamide Formula: C15H18N4OS2 MolecularWeight: 334.45962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)CCC2=CC=C(C=C2)N=C(N)SC

Isomeric SMILES

CC(=O)NC1=NC(=CS1)CCC2=CC=C(C=C2)N=C(N)SC

InChI

InChI=1S/C15H18N4OS2/c1-10(20)17-15-19-13(9-22-15)8-5-11-3-6-12(7-4-11)18-14(16)21-2/h3-4,6-7,9H,5,8H2,1-2H3,(H2,16,18)(H,17,19,20)