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

Systemtic Name: butyl 3-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-5-6-10-30-21(26)14-8-7-9-16(11-14)23-22(31)24-20(25)15-12-17(27-2)19(29-4)18(13-15)28-3/h7-9,11-13H,5-6,10H2,1-4H3,(H2,23,24,25,31)