[5-[(4-butan-2-ylphenyl)carbamoyl]-1,2,3-thiadiazol-4-yl]methyl benzoate

Systemtic Name: [5-[(4-butan-2-ylphenyl)carbamoyl]-1,2,3-thiadiazol-4-yl]methyl benzoate Openeye Name: [5-[(4-sec-butylphenyl)carbamoyl]thiadiazol-4-yl]methyl benzoate CAS Name: benzoic acid [5-[(4-butan-2-ylanilino)-oxomethyl]-4-thiadiazolyl]methyl ester IUPAC Name: [5-[(4-butan-2-ylphenyl)carbamoyl]thiadiazol-4-yl]methyl benzoate Traditional Name: benzoic acid [5-[(4-sec-butylphenyl)carbamoyl]thiadiazol-4-yl]methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=NS2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(N=NS2)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-3-14(2)15-9-11-17(12-10-15)22-20(25)19-18(23-24-28-19)13-27-21(26)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,22,25)