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

Systemtic Name: 3-methylbutyl 5-[(4-methylphenyl)carbamoylamino]-1,2,3-thiadiazole-4-carboxylate Openeye Name: isopentyl 5-(p-tolylcarbamoylamino)thiadiazole-4-carboxylate CAS Name: 5-[[(4-methylanilino)-oxomethyl]amino]-4-thiadiazolecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-[(4-methylphenyl)carbamoylamino]thiadiazole-4-carboxylate Traditional Name: 5-(p-tolylcarbamoylamino)thiadiazole-4-carboxylic acid isoamyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=C(N=NS2)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=C(N=NS2)C(=O)OCCC(C)C

InChI

InChI=1S/C16H20N4O3S/c1-10(2)8-9-23-15(21)13-14(24-20-19-13)18-16(22)17-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,17,18,22)