hexyl N'-[(E)-1,1-diethoxy-4-oxidanylidene-pent-2-en-2-yl]carbamimidothioate

Systemtic Name: hexyl N'-[(E)-1,1-diethoxy-4-oxidanylidene-pent-2-en-2-yl]carbamimidothioate Openeye Name: 3-[(E)-1-(diethoxymethyl)-3-oxo-but-1-enyl]-2-hexyl-isothiourea CAS Name: N'-[(E)-1,1-diethoxy-4-oxopent-2-en-2-yl]carbamimidothioic acid hexyl ester IUPAC Name: hexyl N'-[(E)-1,1-diethoxy-4-oxopent-2-en-2-yl]carbamimidothioate Traditional Name: 3-[(E)-1-(diethoxymethyl)-3-keto-but-1-enyl]-2-hexyl-isothiourea Formula: C16H30N2O3S MolecularWeight: 330.486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=NC(=CC(=O)C)C(OCC)OCC)N

Isomeric SMILES

CCCCCCSC(=N/C(=C/C(=O)C)/C(OCC)OCC)N

InChI

InChI=1S/C16H30N2O3S/c1-5-8-9-10-11-22-16(17)18-14(12-13(4)19)15(20-6-2)21-7-3/h12,15H,5-11H2,1-4H3,(H2,17,18)/b14-12+