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

Systemtic Name: [4-[6-(5-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]phenyl] thiocyanate Openeye Name: [4-[6-(5-ethyl-4-oxo-2-thioxo-thiazolidin-3-yl)hexanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[6-(5-ethyl-4-oxo-2-sulfanylidene-3-thiazolidinyl)-1-oxohexyl]amino]phenyl] ester IUPAC Name: [4-[6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[6-(5-ethyl-4-keto-2-thioxo-thiazolidin-3-yl)hexanoylamino]phenyl] ester Formula: C18H21N3O2S3 MolecularWeight: 407.57324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(=S)S1)CCCCCC(=O)NC2=CC=C(C=C2)SC#N

Isomeric SMILES

CCC1C(=O)N(C(=S)S1)CCCCCC(=O)NC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C18H21N3O2S3/c1-2-15-17(23)21(18(24)26-15)11-5-3-4-6-16(22)20-13-7-9-14(10-8-13)25-12-19/h7-10,15H,2-6,11H2,1H3,(H,20,22)