methyl N-[di(propan-2-yl)carbamoyl]-N'-pyrrolidin-1-ylcarbonyl-carbamimidothioate

Systemtic Name: methyl N-[di(propan-2-yl)carbamoyl]-N'-pyrrolidin-1-ylcarbonyl-carbamimidothioate Openeye Name: (NE)-N-[(diisopropylcarbamoylamino)-methylsulfanyl-methylene]pyrrolidine-1-carboxamide CAS Name: N-[[di(propan-2-yl)amino]-oxomethyl]-N'-[oxo(1-pyrrolidinyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-[di(propan-2-yl)carbamoyl]-N'-(pyrrolidine-1-carbonyl)carbamimidothioate Traditional Name: (NE)-N-[(diisopropylcarbamoylamino)-(methylthio)methylene]pyrrolidine-1-carboxamide Formula: C14H26N4O2S MolecularWeight: 314.44684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)NC(=NC(=O)N1CCCC1)SC

Isomeric SMILES

CC(C)N(C(C)C)C(=O)N/C(=N\C(=O)N1CCCC1)/SC

InChI

InChI=1S/C14H26N4O2S/c1-10(2)18(11(3)4)14(20)16-12(21-5)15-13(19)17-8-6-7-9-17/h10-11H,6-9H2,1-5H3,(H,15,16,19,20)