N,N-diethyl-2-(quinazolin-4-ylsulfanylmethyl)-3H-benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-2-(quinazolin-4-ylsulfanylmethyl)-3H-benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-2-(quinazolin-4-ylsulfanylmethyl)-3H-benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-2-[(4-quinazolinylthio)methyl]-3H-benzimidazole-5-sulfonamide IUPAC Name: N,N-diethyl-2-(quinazolin-4-ylsulfanylmethyl)-3H-benzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-[(quinazolin-4-ylthio)methyl]-3H-benzimidazole-5-sulfonamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H21N5O2S2/c1-3-25(4-2)29(26,27)14-9-10-17-18(11-14)24-19(23-17)12-28-20-15-7-5-6-8-16(15)21-13-22-20/h5-11,13H,3-4,12H2,1-2H3,(H,23,24)