N-[4-[[(2-methylsulfanylpyridin-3-yl)carbonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[4-[[(2-methylsulfanylpyridin-3-yl)carbonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Openeye Name: N-[4-[[(2-methylsulfanylpyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide CAS Name: N-[4-[[[[2-(methylthio)-3-pyridinyl]-oxomethyl]hydrazo]-oxomethyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[4-[[(2-methylsulfanylpyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[4-[[[2-(methylthio)nicotinoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide Formula: C18H16N4O4S3 MolecularWeight: 448.53904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N4O4S3/c1-27-18-14(4-2-10-19-18)17(24)21-20-16(23)12-6-8-13(9-7-12)22-29(25,26)15-5-3-11-28-15/h2-11,22H,1H3,(H,20,23)(H,21,24)