N,N-dimethyl-1-propyl-2-(quinazolin-4-ylsulfanylmethyl)benzimidazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-1-propyl-2-(quinazolin-4-ylsulfanylmethyl)benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-1-propyl-2-(quinazolin-4-ylsulfanylmethyl)benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-1-propyl-2-[(4-quinazolinylthio)methyl]-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-1-propyl-2-(quinazolin-4-ylsulfanylmethyl)benzimidazole-5-sulfonamide Traditional Name: N,N-dimethyl-1-propyl-2-[(quinazolin-4-ylthio)methyl]benzimidazole-5-sulfonamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H23N5O2S2/c1-4-11-26-19-10-9-15(30(27,28)25(2)3)12-18(19)24-20(26)13-29-21-16-7-5-6-8-17(16)22-14-23-21/h5-10,12,14H,4,11,13H2,1-3H3