4-methyl-3-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-methyl-3-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-methyl-3-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-4-methyl-benzoate Formula: C16H19N4O3S2- MolecularWeight: 379.47706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NN=C(S2)NCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NN=C(S2)NCC(C)C

InChI

InChI=1S/C16H20N4O3S2/c1-9(2)7-17-15-19-20-16(25-15)24-8-13(21)18-12-6-11(14(22)23)5-4-10(12)3/h4-6,9H,7-8H2,1-3H3,(H,17,19)(H,18,21)(H,22,23)/p-1