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

Systemtic Name: 3-[(4-butoxyphenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(4-butoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(4-butoxybenzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-3-4-11-27-15-8-5-13(6-9-15)18(23)22-20(28)21-16-12-14(19(24)25)7-10-17(16)26-2/h5-10,12H,3-4,11H2,1-2H3,(H,24,25)(H2,21,22,23,28)