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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

InChI

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