3-phenylpropyl 5-oxidanylidene-5-(1,3-thiazol-2-ylcarbamothioylamino)pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-(1,3-thiazol-2-ylcarbamothioylamino)pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-(thiazol-2-ylcarbamothioylamino)pentanoate CAS Name: 5-oxo-5-[[sulfanylidene-(2-thiazolylamino)methyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-(1,3-thiazol-2-ylcarbamothioylamino)pentanoate Traditional Name: 5-keto-5-(thiazol-2-ylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S2/c22-15(20-17(25)21-18-19-11-13-26-18)9-4-10-16(23)24-12-5-8-14-6-2-1-3-7-14/h1-3,6-7,11,13H,4-5,8-10,12H2,(H2,19,20,21,22,25)