3-methylbutyl 5-[(4-bromophenyl)carbamoylamino]-1,2,3-thiadiazole-4-carboxylate

Systemtic Name: 3-methylbutyl 5-[(4-bromophenyl)carbamoylamino]-1,2,3-thiadiazole-4-carboxylate Openeye Name: isopentyl 5-[(4-bromophenyl)carbamoylamino]thiadiazole-4-carboxylate CAS Name: 5-[[(4-bromoanilino)-oxomethyl]amino]-4-thiadiazolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-[(4-bromophenyl)carbamoylamino]thiadiazole-4-carboxylate Traditional Name: 5-[(4-bromophenyl)carbamoylamino]thiadiazole-4-carboxylic acid isoamyl ester Formula: C15H17BrN4O3S MolecularWeight: 413.28948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(SN=N1)NC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CCOC(=O)C1=C(SN=N1)NC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H17BrN4O3S/c1-9(2)7-8-23-14(21)12-13(24-20-19-12)18-15(22)17-11-5-3-10(16)4-6-11/h3-6,9H,7-8H2,1-2H3,(H2,17,18,22)