tert-butyl N-[2-[[5-(3,3-dimethylbutan-2-ylcarbamothioylamino)pyridin-2-yl]amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[5-(3,3-dimethylbutan-2-ylcarbamothioylamino)pyridin-2-yl]amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[[5-(1,2,2-trimethylpropylcarbamothioylamino)-2-pyridyl]amino]ethyl]carbamate CAS Name: N-[2-[[5-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]-2-pyridinyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[5-(3,3-dimethylbutan-2-ylcarbamothioylamino)pyridin-2-yl]amino]ethyl]carbamate Traditional Name: N-[2-[[5-(1,2,2-trimethylpropylthiocarbamoylamino)-2-pyridyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C19H33N5O2S MolecularWeight: 395.56262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=S)NC1=CN=C(C=C1)NCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(C)(C)C)NC(=S)NC1=CN=C(C=C1)NCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C19H33N5O2S/c1-13(18(2,3)4)23-16(27)24-14-8-9-15(22-12-14)20-10-11-21-17(25)26-19(5,6)7/h8-9,12-13H,10-11H2,1-7H3,(H,20,22)(H,21,25)(H2,23,24,27)