ethyl 4-[5-(3,3-dimethylbutan-2-ylcarbamothioylamino)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(3,3-dimethylbutan-2-ylcarbamothioylamino)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(1,2,2-trimethylpropylcarbamothioylamino)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]-2-pyridinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(3,3-dimethylbutan-2-ylcarbamothioylamino)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(1,2,2-trimethylpropylthiocarbamoylamino)-2-pyridyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H31N5O2S MolecularWeight: 393.54674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=S)NC(C)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=S)NC(C)C(C)(C)C

InChI

InChI=1S/C19H31N5O2S/c1-6-26-18(25)24-11-9-23(10-12-24)16-8-7-15(13-20-16)22-17(27)21-14(2)19(3,4)5/h7-8,13-14H,6,9-12H2,1-5H3,(H2,21,22,27)