tert-butyl N-[1-[2-(2,1,3-benzothiadiazol-5-ylcarbonyl)hydrazinyl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-(2,1,3-benzothiadiazol-5-ylcarbonyl)hydrazinyl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[2-(2,1,3-benzothiadiazole-5-carbonyl)hydrazino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]hydrazo]-3-cyclohexyl-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-(2,1,3-benzothiadiazole-5-carbonyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(cyclohexylmethyl)-2-keto-2-[N'-(piazthiole-5-carbonyl)hydrazino]ethyl]carbamic acid tert-butyl ester Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NNC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NNC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C21H29N5O4S/c1-21(2,3)30-20(29)22-17(11-13-7-5-4-6-8-13)19(28)24-23-18(27)14-9-10-15-16(12-14)26-31-25-15/h9-10,12-13,17H,4-8,11H2,1-3H3,(H,22,29)(H,23,27)(H,24,28)