3-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]carbamoyl]-N-(4-ethoxyphenyl)benzenesulfonamide

Systemtic Name: 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]carbamoyl]-N-(4-ethoxyphenyl)benzenesulfonamide Openeye Name: 3-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]carbamoyl]-N-(4-ethoxyphenyl)benzenesulfonamide CAS Name: 3-[[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazo]-oxomethyl]-N-(4-ethoxyphenyl)benzenesulfonamide IUPAC Name: 3-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]carbamoyl]-N-(4-ethoxyphenyl)benzenesulfonamide Traditional Name: 3-[[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]carbamoyl]-N-p-phenetyl-benzenesulfonamide Formula: C24H22N4O5S3 MolecularWeight: 542.65028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H22N4O5S3/c1-2-33-18-12-10-17(11-13-18)28-36(31,32)19-7-5-6-16(14-19)23(30)27-26-22(29)15-34-24-25-20-8-3-4-9-21(20)35-24/h3-14,28H,2,15H2,1H3,(H,26,29)(H,27,30)