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

Systemtic Name: 8-[[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C33H23N3O4S2 MolecularWeight: 589.68342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=NC3=CC=CC=C3S2)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=NC3=CC=CC=C3S2)SC4=CC=CC(=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C33H23N3O4S2/c37-30(24-15-6-11-20-12-7-16-25(28(20)24)32(39)40)34-22-13-8-14-23(19-22)41-29(21-9-2-1-3-10-21)31(38)36-33-35-26-17-4-5-18-27(26)42-33/h1-19,29H,(H,34,37)(H,39,40)(H,35,36,38)