ethyl 4-[4-azanyl-5-(butylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate

Systemtic Name: ethyl 4-[4-azanyl-5-(butylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-(butylcarbamoyl)-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[butylamino(oxo)methyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(butylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(butylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC)N

Isomeric SMILES

CCCCNC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC)N

InChI

InChI=1S/C17H21N3O3S2/c1-3-5-10-19-15(21)13-14(18)20(17(24)25-13)12-8-6-11(7-9-12)16(22)23-4-2/h6-9H,3-5,10,18H2,1-2H3,(H,19,21)