1-butyl-2-[(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C19H21N5O3S3 MolecularWeight: 463.59674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=C(C=CS4)C(=O)N3C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=C(C=CS4)C(=O)N3C

InChI

InChI=1S/C19H21N5O3S3/c1-3-4-8-24-15-6-5-12(30(20,26)27)10-14(15)21-16(24)11-29-19-22-17-13(7-9-28-17)18(25)23(19)2/h5-7,9-10H,3-4,8,11H2,1-2H3,(H2,20,26,27)