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

Systemtic Name: 8-[[3-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H21N3O4S2 MolecularWeight: 527.61404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C28H21N3O4S2/c1-16(25(32)31-28-30-22-13-2-3-14-23(22)37-28)36-19-10-6-9-18(15-19)29-26(33)20-11-4-7-17-8-5-12-21(24(17)20)27(34)35/h2-16H,1H3,(H,29,33)(H,34,35)(H,30,31,32)