[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl N-(2,1,3-benzothiadiazol-5-ylcarbonylamino)carbamate

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl N-(2,1,3-benzothiadiazol-5-ylcarbonylamino)carbamate Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl N-(2,1,3-benzothiadiazole-5-carbonylamino)carbamate CAS Name: N-[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]carbamic acid [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl ester IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl N-(2,1,3-benzothiadiazole-5-carbonylamino)carbamate Traditional Name: N-(piazthiole-5-carbonylamino)carbamic acid [4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl] ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)COC(=O)NNC(=O)C2=CC3=NSN=C3C=C2)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)COC(=O)NNC(=O)C2=CC3=NSN=C3C=C2)O

InChI

InChI=1S/C20H18N4O4S/c1-20(2,27)10-9-13-3-5-14(6-4-13)12-28-19(26)22-21-18(25)15-7-8-16-17(11-15)24-29-23-16/h3-8,11,27H,12H2,1-2H3,(H,21,25)(H,22,26)