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

Systemtic Name: 1-butyl-2-[(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 2-[[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C21H23N5O3S3 MolecularWeight: 489.63402

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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)N3CC=C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=C(C=CS4)C(=O)N3CC=C

InChI

InChI=1S/C21H23N5O3S3/c1-3-5-10-25-17-7-6-14(32(22,28)29)12-16(17)23-18(25)13-31-21-24-19-15(8-11-30-19)20(27)26(21)9-4-2/h4,6-8,11-12H,2-3,5,9-10,13H2,1H3,(H2,22,28,29)