4,5-dihydro-1,3-thiazol-2-amine; methyl N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylcarbamate

Systemtic Name: 4,5-dihydro-1,3-thiazol-2-amine; methyl N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylcarbamate Openeye Name: 4,5-dihydrothiazol-2-amine; methyl N-[4-(1-piperidylazo)phenyl]sulfonylcarbamate CAS Name: 4,5-dihydrothiazol-2-amine; N-[4-(1-piperidinylazo)phenyl]sulfonylcarbamic acid methyl ester IUPAC Name: 4,5-dihydro-1,3-thiazol-2-amine; methyl N-[4-(piperidin-1-yldiazenyl)phenyl]sulfonylcarbamate Traditional Name: N-(4-piperidinoazophenyl)sulfonylcarbamic acid methyl ester; 2-thiazolin-2-ylamine Formula: C16H24N6O4S2 MolecularWeight: 428.52956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCC2.C1CSC(=N1)N

Isomeric SMILES

COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCC2.C1CSC(=N1)N

InChI

InChI=1S/C13H18N4O4S.C3H6N2S/c1-21-13(18)15-22(19,20)12-7-5-11(6-8-12)14-16-17-9-3-2-4-10-17;4-3-5-1-2-6-3/h5-8H,2-4,9-10H2,1H3,(H,15,18);1-2H2,(H2,4,5)