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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

InChI

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