tert-butyl N-[[4-[(2,1,3-benzothiadiazol-5-ylcarbonylamino)carbamoyl]cyclohexyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[(2,1,3-benzothiadiazol-5-ylcarbonylamino)carbamoyl]cyclohexyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(2,1,3-benzothiadiazole-5-carbonylamino)carbamoyl]cyclohexyl]methyl]carbamate CAS Name: N-[[4-[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]hydrazo]-oxomethyl]cyclohexyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(2,1,3-benzothiadiazole-5-carbonylamino)carbamoyl]cyclohexyl]methyl]carbamate Traditional Name: N-[[4-[(piazthiole-5-carbonylamino)carbamoyl]cyclohexyl]methyl]carbamic acid tert-butyl ester Formula: C20H27N5O4S MolecularWeight: 433.52448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NNC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NNC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C20H27N5O4S/c1-20(2,3)29-19(28)21-11-12-4-6-13(7-5-12)17(26)22-23-18(27)14-8-9-15-16(10-14)25-30-24-15/h8-10,12-13H,4-7,11H2,1-3H3,(H,21,28)(H,22,26)(H,23,27)