O-heptyl N-[4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioate

Systemtic Name: O-heptyl N-[4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioate Openeye Name: O-heptyl N-(4-chloro-1,1-dioxo-thiolan-3-yl)carbamothioate CAS Name: N-(4-chloro-1,1-dioxo-3-thiolanyl)carbamothioic acid O-heptyl ester IUPAC Name: O-heptyl N-(4-chloro-1,1-dioxothiolan-3-yl)carbamothioate Traditional Name: N-(4-chloro-1,1-diketo-thiolan-3-yl)thiocarbamic acid O-heptyl ester Formula: C12H22ClNO3S2 MolecularWeight: 327.89098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=S)NC1CS(=O)(=O)CC1Cl

Isomeric SMILES

CCCCCCCOC(=S)NC1CS(=O)(=O)CC1Cl

InChI

InChI=1S/C12H22ClNO3S2/c1-2-3-4-5-6-7-17-12(18)14-11-9-19(15,16)8-10(11)13/h10-11H,2-9H2,1H3,(H,14,18)