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

Systemtic Name: 8-[[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H19N3O4S2 MolecularWeight: 513.58746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C27H19N3O4S2/c31-23(30-27-29-21-12-1-2-13-22(21)36-27)15-35-18-9-5-8-17(14-18)28-25(32)19-10-3-6-16-7-4-11-20(24(16)19)26(33)34/h1-14H,15H2,(H,28,32)(H,33,34)(H,29,30,31)