butyl 2-chloranyl-5-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 2-chloranyl-5-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 2-chloro-5-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-chloro-5-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Cl

InChI

InChI=1S/C22H25ClN2O6S/c1-5-6-9-31-21(27)15-12-14(7-8-16(15)23)24-22(32)25-20(26)13-10-17(28-2)19(30-4)18(11-13)29-3/h7-8,10-12H,5-6,9H2,1-4H3,(H2,24,25,26,32)