[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 1-[(4-carbamoylphenyl)carbamoyl]propyl 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [1-(4-carbamoylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxobutan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid 1-[(4-carbamoylphenyl)carbamoyl]propyl ester Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

InChI

InChI=1S/C22H23N5O4S/c1-4-18(20(29)24-16-9-5-14(6-10-16)19(23)28)31-21(30)15-7-11-17(12-8-15)27-13(2)25-26-22(27)32-3/h5-12,18H,4H2,1-3H3,(H2,23,28)(H,24,29)