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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(thiazol-2-ylcarbamothioylamino)butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2-thiazolylamino)methyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate Traditional Name: 4-keto-4-(thiazol-2-ylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S2/c21-14(19-16(24)20-17-18-10-12-25-17)8-9-15(22)23-11-4-7-13-5-2-1-3-6-13/h1-3,5-6,10,12H,4,7-9,11H2,(H2,18,19,20,21,24)