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

Systemtic Name: ethyl 4-[4-azanyl-5-(pentylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-(pentylcarbamoyl)-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[oxo-(pentylamino)methyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(pentylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(amylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S2/c1-3-5-6-11-20-16(22)14-15(19)21(18(25)26-14)13-9-7-12(8-10-13)17(23)24-4-2/h7-10H,3-6,11,19H2,1-2H3,(H,20,22)