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

Systemtic Name: [4-[4-(5-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoylamino]phenyl] thiocyanate Openeye Name: [4-[4-(5-ethyl-4-oxo-2-thioxo-thiazolidin-3-yl)butanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[4-(5-ethyl-4-oxo-2-sulfanylidene-3-thiazolidinyl)-1-oxobutyl]amino]phenyl] ester IUPAC Name: [4-[4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[4-(5-ethyl-4-keto-2-thioxo-thiazolidin-3-yl)butanoylamino]phenyl] ester Formula: C16H17N3O2S3 MolecularWeight: 379.52008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S3/c1-2-13-15(21)19(16(22)24-13)9-3-4-14(20)18-11-5-7-12(8-6-11)23-10-17/h5-8,13H,2-4,9H2,1H3,(H,18,20)