tert-butyl N-[4-(pyridin-2-ylcarbamothioylamino)butyl]carbamate

Systemtic Name: tert-butyl N-[4-(pyridin-2-ylcarbamothioylamino)butyl]carbamate Openeye Name: tert-butyl N-[4-(2-pyridylcarbamothioylamino)butyl]carbamate CAS Name: N-[4-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(pyridin-2-ylcarbamothioylamino)butyl]carbamate Traditional Name: N-[4-(2-pyridylthiocarbamoylamino)butyl]carbamic acid tert-butyl ester Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCNC(=S)NC1=CC=CC=N1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCNC(=S)NC1=CC=CC=N1

InChI

InChI=1S/C15H24N4O2S/c1-15(2,3)21-14(20)18-11-7-6-10-17-13(22)19-12-8-4-5-9-16-12/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,18,20)(H2,16,17,19,22)