[4-[6-(5-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[6-(5-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]phenyl] thiocyanate Openeye Name: [4-[6-(5-methyl-4-oxo-2-thioxo-thiazolidin-3-yl)hexanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[6-(5-methyl-4-oxo-2-sulfanylidene-3-thiazolidinyl)-1-oxohexyl]amino]phenyl] ester IUPAC Name: [4-[6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[6-(4-keto-5-methyl-2-thioxo-thiazolidin-3-yl)hexanoylamino]phenyl] ester Formula: C17H19N3O2S3 MolecularWeight: 393.54666

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=S)S1)CCCCCC(=O)NC2=CC=C(C=C2)SC#N

Isomeric SMILES

CC1C(=O)N(C(=S)S1)CCCCCC(=O)NC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C17H19N3O2S3/c1-12-16(22)20(17(23)25-12)10-4-2-3-5-15(21)19-13-6-8-14(9-7-13)24-11-18/h6-9,12H,2-5,10H2,1H3,(H,19,21)