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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=NC4=C(C(=O)N3CC=C)SC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=NC4=C(C(=O)N3CC=C)SC=C4

InChI

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