tert-butyl N-[1-oxidanylidene-6-(pyridin-3-ylcarbonylamino)-1-(thiophen-2-ylmethylamino)hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-oxidanylidene-6-(pyridin-3-ylcarbonylamino)-1-(thiophen-2-ylmethylamino)hexan-2-yl]carbamate Openeye Name: tert-butyl N-[5-(pyridine-3-carbonylamino)-1-(2-thienylmethylcarbamoyl)pentyl]carbamate CAS Name: N-[1-oxo-6-[[oxo(3-pyridinyl)methyl]amino]-1-(thiophen-2-ylmethylamino)hexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-oxo-6-(pyridine-3-carbonylamino)-1-(thiophen-2-ylmethylamino)hexan-2-yl]carbamate Traditional Name: N-[5-nicotinamido-1-(2-thenylcarbamoyl)pentyl]carbamic acid tert-butyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)C1=CN=CC=C1)C(=O)NCC2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCNC(=O)C1=CN=CC=C1)C(=O)NCC2=CC=CS2

InChI

InChI=1S/C22H30N4O4S/c1-22(2,3)30-21(29)26-18(20(28)25-15-17-9-7-13-31-17)10-4-5-12-24-19(27)16-8-6-11-23-14-16/h6-9,11,13-14,18H,4-5,10,12,15H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)