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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

InChI

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