methyl 4-[[4-(1,3-thiazol-2-yl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(1,3-thiazol-2-yl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-thiazol-2-ylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[sulfanylidene-[4-(2-thiazolyl)anilino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-thiazol-2-yl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[(4-thiazol-2-ylphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C15H17N3O2S2 MolecularWeight: 335.44438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)C2=NC=CS2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)C2=NC=CS2

InChI

InChI=1S/C15H17N3O2S2/c1-20-13(19)3-2-8-17-15(21)18-12-6-4-11(5-7-12)14-16-9-10-22-14/h4-7,9-10H,2-3,8H2,1H3,(H2,17,18,21)