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

Systemtic Name: 8-[[3-[1-oxidanylidene-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-(thiazol-2-ylcarbamoyl)propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[3-[[1-oxo-1-(2-thiazolylamino)butan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-(thiazol-2-ylcarbamoyl)propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=CS1)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=NC=CS1)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C25H21N3O4S2/c1-2-20(23(30)28-25-26-12-13-33-25)34-17-9-5-8-16(14-17)27-22(29)18-10-3-6-15-7-4-11-19(21(15)18)24(31)32/h3-14,20H,2H2,1H3,(H,27,29)(H,31,32)(H,26,28,30)