[1-(dimethylcarbamothioylsulfanyl)-4-(3-phenoxyphenyl)butyl]phosphonic acid

Systemtic Name: [1-(dimethylcarbamothioylsulfanyl)-4-(3-phenoxyphenyl)butyl]phosphonic acid Openeye Name: [1-(dimethylcarbamothioylsulfanyl)-4-(3-phenoxyphenyl)butyl]phosphonic acid CAS Name: [1-[[dimethylamino(sulfanylidene)methyl]thio]-4-(3-phenoxyphenyl)butyl]phosphonic acid IUPAC Name: [1-(dimethylcarbamothioylsulfanyl)-4-(3-phenoxyphenyl)butyl]phosphonic acid Traditional Name: [1-(dimethylthiocarbamoylthio)-4-(3-phenoxyphenyl)butyl]phosphonic acid Formula: C19H24NO4PS2 MolecularWeight: 425.501921

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SC(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)P(=O)(O)O

Isomeric SMILES

CN(C)C(=S)SC(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)P(=O)(O)O

InChI

InChI=1S/C19H24NO4PS2/c1-20(2)19(26)27-18(25(21,22)23)13-7-9-15-8-6-12-17(14-15)24-16-10-4-3-5-11-16/h3-6,8,10-12,14,18H,7,9,13H2,1-2H3,(H2,21,22,23)