8-[[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H22N2O6S MolecularWeight: 514.54908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O6S/c1-16(26(31)30-19-10-13-23-24(14-19)36-15-35-23)37-20-11-8-18(9-12-20)29-27(32)21-6-2-4-17-5-3-7-22(25(17)21)28(33)34/h2-14,16H,15H2,1H3,(H,29,32)(H,30,31)(H,33,34)