phenethyl 4-oxidanylidene-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate Openeye Name: phenethyl 4-oxo-4-(thiazol-2-ylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2-thiazolylamino)methyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(thiazol-2-ylthiocarbamoylamino)butyric acid phenethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=NC=CS2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=NC=CS2

InChI

InChI=1S/C16H17N3O3S2/c20-13(18-15(23)19-16-17-9-11-24-16)6-7-14(21)22-10-8-12-4-2-1-3-5-12/h1-5,9,11H,6-8,10H2,(H2,17,18,19,20,23)