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

Systemtic Name: 8-[[3-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-(1,3-benzothiazol-2-ylcarbamoyl)propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-(1,3-benzothiazol-2-ylcarbamoyl)propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C29H23N3O4S2 MolecularWeight: 541.64062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/C29H23N3O4S2/c1-2-23(27(34)32-29-31-22-14-3-4-15-24(22)38-29)37-19-11-7-10-18(16-19)30-26(33)20-12-5-8-17-9-6-13-21(25(17)20)28(35)36/h3-16,23H,2H2,1H3,(H,30,33)(H,35,36)(H,31,32,34)