2,4-bis(oxidanylidene)pentan-3-yl N-(2-chlorophenyl)carbamodithioate

Systemtic Name: 2,4-bis(oxidanylidene)pentan-3-yl N-(2-chlorophenyl)carbamodithioate Openeye Name: (1-acetyl-2-oxo-propyl) N-(2-chlorophenyl)carbamodithioate CAS Name: N-(2-chlorophenyl)carbamodithioic acid 2,4-dioxopentan-3-yl ester IUPAC Name: 2,4-dioxopentan-3-yl N-(2-chlorophenyl)carbamodithioate Traditional Name: N-(2-chlorophenyl)carbamodithioic acid (1-acetyl-2-keto-propyl) ester Formula: C12H12ClNO2S2 MolecularWeight: 301.81218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC(=S)NC1=CC=CC=C1Cl

Isomeric SMILES

CC(=O)C(C(=O)C)SC(=S)NC1=CC=CC=C1Cl

InChI

InChI=1S/C12H12ClNO2S2/c1-7(15)11(8(2)16)18-12(17)14-10-6-4-3-5-9(10)13/h3-6,11H,1-2H3,(H,14,17)