methyl 4-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-sec-butoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-butan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-sec-butoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-4-13(2)26-17-7-5-6-15(12-17)18(23)22-20(27)21-16-10-8-14(9-11-16)19(24)25-3/h5-13H,4H2,1-3H3,(H2,21,22,23,27)