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

Systemtic Name: 8-[[3-[1-[(4-butoxycarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(4-butoxycarbonylphenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-[4-[butoxy(oxo)methyl]anilino]-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(4-butoxycarbonylanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(4-butoxycarbonylphenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C33H32N2O6S MolecularWeight: 584.68198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=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

CCCCOC(=O)C1=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/C33H32N2O6S/c1-3-5-19-41-33(40)22-15-17-23(18-16-22)34-31(37)28(4-2)42-25-12-8-11-24(20-25)35-30(36)26-13-6-9-21-10-7-14-27(29(21)26)32(38)39/h6-18,20,28H,3-5,19H2,1-2H3,(H,34,37)(H,35,36)(H,38,39)