methyl 2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(4-hexoxybenzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-hexoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(4-hexoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H26N2O4S/c1-3-4-5-8-15-28-17-13-11-16(12-14-17)20(25)24-22(29)23-19-10-7-6-9-18(19)21(26)27-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H2,23,24,25,29)