tert-butyl 4-(pyridin-3-ylmethylcarbamothioylamino)butanoate

Systemtic Name: tert-butyl 4-(pyridin-3-ylmethylcarbamothioylamino)butanoate Openeye Name: tert-butyl 4-(3-pyridylmethylcarbamothioylamino)butanoate CAS Name: 4-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(pyridin-3-ylmethylcarbamothioylamino)butanoate Traditional Name: 4-(3-pyridylmethylthiocarbamoylamino)butyric acid tert-butyl ester Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NCC1=CN=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NCC1=CN=CC=C1

InChI

InChI=1S/C15H23N3O2S/c1-15(2,3)20-13(19)7-5-9-17-14(21)18-11-12-6-4-8-16-10-12/h4,6,8,10H,5,7,9,11H2,1-3H3,(H2,17,18,21)