tert-butyl N-[3-[(5-methylpyridin-2-yl)carbamothioylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(5-methylpyridin-2-yl)carbamothioylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(5-methyl-2-pyridyl)carbamothioylamino]propyl]carbamate CAS Name: N-[3-[[[(5-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(5-methylpyridin-2-yl)carbamothioylamino]propyl]carbamate Traditional Name: N-[3-[(5-methyl-2-pyridyl)thiocarbamoylamino]propyl]carbamic acid tert-butyl ester Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=S)NCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CN=C(C=C1)NC(=S)NCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C15H24N4O2S/c1-11-6-7-12(18-10-11)19-13(22)16-8-5-9-17-14(20)21-15(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,17,20)(H2,16,18,19,22)