butyl 4-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methylcarbamoylamino]benzoate

Systemtic Name: butyl 4-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methylcarbamoylamino]benzoate Openeye Name: butyl 4-[[4-(thiadiazol-4-yl)phenyl]methylcarbamoylamino]benzoate CAS Name: 4-[[oxo-[[4-(4-thiadiazolyl)phenyl]methylamino]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(thiadiazol-4-yl)phenyl]methylcarbamoylamino]benzoate Traditional Name: 4-[[4-(thiadiazol-4-yl)benzyl]carbamoylamino]benzoic acid butyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)C3=CSN=N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)C3=CSN=N3

InChI

InChI=1S/C21H22N4O3S/c1-2-3-12-28-20(26)17-8-10-18(11-9-17)23-21(27)22-13-15-4-6-16(7-5-15)19-14-29-25-24-19/h4-11,14H,2-3,12-13H2,1H3,(H2,22,23,27)