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

Systemtic Name: 8-[[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C33H24N2O6S MolecularWeight: 576.61846

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C33H24N2O6S/c36-31(25-13-4-9-20-10-5-14-26(29(20)25)33(38)39)34-22-11-6-12-24(17-22)42-30(21-7-2-1-3-8-21)32(37)35-23-15-16-27-28(18-23)41-19-40-27/h1-18,30H,19H2,(H,34,36)(H,35,37)(H,38,39)