ethyl 3-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[[4-(thiadiazol-4-yl)phenyl]methylcarbamothioylamino]benzoate CAS Name: 3-[[sulfanylidene-[[4-(4-thiadiazolyl)phenyl]methylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(thiadiazol-4-yl)phenyl]methylcarbamothioylamino]benzoate Traditional Name: 3-[[4-(thiadiazol-4-yl)benzyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S2/c1-2-25-18(24)15-4-3-5-16(10-15)21-19(26)20-11-13-6-8-14(9-7-13)17-12-27-23-22-17/h3-10,12H,2,11H2,1H3,(H2,20,21,26)