S-[4-[[3,3-dimethyl-1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]amino]-4-oxidanylidene-butyl] carbamothioate

Systemtic Name: S-[4-[[3,3-dimethyl-1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]amino]-4-oxidanylidene-butyl] carbamothioate Openeye Name: S-[4-[[2,2-dimethyl-1-(2-pyridylcarbamoyl)propyl]amino]-4-oxo-butyl] carbamothioate CAS Name: carbamothioic acid S-[4-[[3,3-dimethyl-1-oxo-1-(2-pyridinylamino)butan-2-yl]amino]-4-oxobutyl] ester IUPAC Name: S-[4-[[3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]amino]-4-oxobutyl] carbamothioate Traditional Name: thiocarbamic acid S-[4-[[2,2-dimethyl-1-(2-pyridylcarbamoyl)propyl]amino]-4-keto-butyl] ester Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC1=CC=CC=N1)NC(=O)CCCSC(=O)N

Isomeric SMILES

CC(C)(C)C(C(=O)NC1=CC=CC=N1)NC(=O)CCCSC(=O)N

InChI

InChI=1S/C16H24N4O3S/c1-16(2,3)13(14(22)19-11-7-4-5-9-18-11)20-12(21)8-6-10-24-15(17)23/h4-5,7,9,13H,6,8,10H2,1-3H3,(H2,17,23)(H,20,21)(H,18,19,22)