[4-[4-(1H-benzimidazol-3-ium-2-ylsulfanyl)butanoylamino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

Systemtic Name: [4-[4-(1H-benzimidazol-3-ium-2-ylsulfanyl)butanoylamino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide Openeye Name: [4-[4-(1H-benzimidazol-3-ium-2-ylsulfanyl)butanoylamino]phenyl]sulfonyl-thiazol-2-yl-azanide CAS Name: [4-[[4-(1H-benzimidazol-3-ium-2-ylthio)-1-oxobutyl]amino]phenyl]sulfonyl-(2-thiazolyl)azanide IUPAC Name: [4-[4-(1H-benzimidazol-3-ium-2-ylsulfanyl)butanoylamino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide Traditional Name: [4-[4-(1H-benzimidazol-3-ium-2-ylthio)butanoylamino]phenyl]sulfonyl-thiazol-2-yl-azanide Formula: C20H19N5O3S3 MolecularWeight: 473.59156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CS4

InChI

InChI=1S/C20H19N5O3S3/c26-18(6-3-12-29-20-23-16-4-1-2-5-17(16)24-20)22-14-7-9-15(10-8-14)31(27,28)25-19-21-11-13-30-19/h1-2,4-5,7-11,13H,3,6,12H2,(H3,21,22,23,24,25,26)