8-[[3-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[1-[(4-butoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(4-butoxyphenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(4-butoxyanilino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(4-butoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(4-butoxyphenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C32H32N2O5S MolecularWeight: 556.67188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C32H32N2O5S/c1-3-5-19-39-24-17-15-22(16-18-24)33-31(36)28(4-2)40-25-12-8-11-23(20-25)34-30(35)26-13-6-9-21-10-7-14-27(29(21)26)32(37)38/h6-18,20,28H,3-5,19H2,1-2H3,(H,33,36)(H,34,35)(H,37,38)