N-[2-(carbamothioylamino)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidin-2-yl]methanamide

Systemtic Name: N-[2-(carbamothioylamino)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidin-2-yl]methanamide Openeye Name: N-[2-(carbamothioylamino)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidin-2-yl]formamide CAS Name: N-[2-(carbamothioylamino)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinyl]formamide IUPAC Name: N-[2-(carbamothioylamino)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]formamide Traditional Name: N-[1-(2-keto-3,3-dimethyl-pentanoyl)-2-thioureido-pyrrolidin-2-yl]formamide Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1(NC=O)NC(=S)N

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1(NC=O)NC(=S)N

InChI

InChI=1S/C13H22N4O3S/c1-4-12(2,3)9(19)10(20)17-7-5-6-13(17,15-8-18)16-11(14)21/h8H,4-7H2,1-3H3,(H,15,18)(H3,14,16,21)