N-(1-azanyl-3-cyano-1-oxidanylidene-propan-2-yl)-3-(ethylcarbamothioylamino)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide

Systemtic Name: N-(1-azanyl-3-cyano-1-oxidanylidene-propan-2-yl)-3-(ethylcarbamothioylamino)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide Openeye Name: N-[2-amino-1-(cyanomethyl)-2-oxo-ethyl]-3-(ethylcarbamothioylamino)-4,5-dihydroxy-cyclohexene-1-carboxamide CAS Name: N-(1-amino-3-cyano-1-oxopropan-2-yl)-3-[[ethylamino(sulfanylidene)methyl]amino]-4,5-dihydroxy-1-cyclohexenecarboxamide IUPAC Name: N-(1-amino-3-cyano-1-oxopropan-2-yl)-3-(ethylcarbamothioylamino)-4,5-dihydroxycyclohexene-1-carboxamide Traditional Name: N-[2-amino-1-(cyanomethyl)-2-keto-ethyl]-3-(ethylthiocarbamoylamino)-4,5-dihydroxy-cyclohexene-1-carboxamide Formula: C14H21N5O4S MolecularWeight: 355.41264

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1C=C(CC(C1O)O)C(=O)NC(CC#N)C(=O)N

Isomeric SMILES

CCNC(=S)NC1C=C(CC(C1O)O)C(=O)NC(CC#N)C(=O)N

InChI

InChI=1S/C14H21N5O4S/c1-2-17-14(24)19-9-5-7(6-10(20)11(9)21)13(23)18-8(3-4-15)12(16)22/h5,8-11,20-21H,2-3,6H2,1H3,(H2,16,22)(H,18,23)(H2,17,19,24)