4-[3-(chloromethyl)phenyl]carbothioylthiomorpholine-3-carboxylic acid

Systemtic Name: 4-[3-(chloromethyl)phenyl]carbothioylthiomorpholine-3-carboxylic acid Openeye Name: 4-[3-(chloromethyl)benzenecarbothioyl]thiomorpholine-3-carboxylic acid CAS Name: 4-[[3-(chloromethyl)phenyl]-sulfanylidenemethyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[3-(chloromethyl)benzenecarbothioyl]thiomorpholine-3-carboxylic acid Traditional Name: 4-[3-(chloromethyl)thiobenzoyl]thiomorpholine-3-carboxylic acid Formula: C13H14ClNO2S2 MolecularWeight: 315.83876

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(N1C(=S)C2=CC(=CC=C2)CCl)C(=O)O

Isomeric SMILES

C1CSCC(N1C(=S)C2=CC(=CC=C2)CCl)C(=O)O

InChI

InChI=1S/C13H14ClNO2S2/c14-7-9-2-1-3-10(6-9)12(18)15-4-5-19-8-11(15)13(16)17/h1-3,6,11H,4-5,7-8H2,(H,16,17)