8-[[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C29H24N2O6S MolecularWeight: 528.57566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C29H24N2O6S/c1-2-25(28(33)31-19-12-13-23-24(15-19)37-16-36-23)38-20-9-5-8-18(14-20)30-27(32)21-10-3-6-17-7-4-11-22(26(17)21)29(34)35/h3-15,25H,2,16H2,1H3,(H,30,32)(H,31,33)(H,34,35)