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

Systemtic Name: 8-[[3-[1-[(2-methoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(2-methoxyphenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(2-methoxyanilino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(2-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(2-methoxyphenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C29H26N2O5S MolecularWeight: 514.59214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C29H26N2O5S/c1-3-25(28(33)31-23-15-4-5-16-24(23)36-2)37-20-12-8-11-19(17-20)30-27(32)21-13-6-9-18-10-7-14-22(26(18)21)29(34)35/h4-17,25H,3H2,1-2H3,(H,30,32)(H,31,33)(H,34,35)