N-(1,3-benzodioxol-5-yl)-2-(3-butyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-butyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3-butyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-butyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-butyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]butyramide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CS2)N=C1SC(CC)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CS2)N=C1SC(CC)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4S2/c1-3-5-9-24-20(26)18-14(8-10-29-18)23-21(24)30-17(4-2)19(25)22-13-6-7-15-16(11-13)28-12-27-15/h6-8,10-11,17H,3-5,9,12H2,1-2H3,(H,22,25)