methyl 2-[(4-bromophenyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoate

Systemtic Name: methyl 2-[(4-bromophenyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]amino]propanoate Openeye Name: methyl 2-[4-bromo-N-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]anilino]propanoate CAS Name: 2-(4-bromo-N-[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-[4-bromo-N-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl]anilino]propanoate Traditional Name: 2-[4-bromo-N-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]anilino]propionic acid methyl ester Formula: C13H13BrN4O3S2 MolecularWeight: 417.30132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C1=CC=C(C=C1)Br)C(=O)NC2=NNC(=S)S2

Isomeric SMILES

CC(C(=O)OC)N(C1=CC=C(C=C1)Br)C(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C13H13BrN4O3S2/c1-7(10(19)21-2)18(9-5-3-8(14)4-6-9)12(20)15-11-16-17-13(22)23-11/h3-7H,1-2H3,(H,17,22)(H,15,16,20)