butyl 4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(4-methylthiadiazole-5-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-methyl-5-thiadiazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-methylthiadiazole-5-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-methylthiadiazole-5-carbonyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(N=NS2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(N=NS2)C

InChI

InChI=1S/C16H18N4O3S2/c1-3-4-9-23-15(22)11-5-7-12(8-6-11)17-16(24)18-14(21)13-10(2)19-20-25-13/h5-8H,3-4,9H2,1-2H3,(H2,17,18,21,24)