N-(1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(1,3-benzodioxol-5-yl)propionamide Formula: C23H19N3O4S3 MolecularWeight: 497.60966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3CC=C

InChI

InChI=1S/C23H19N3O4S3/c1-3-8-26-22(28)19-15(18-5-4-9-31-18)11-32-21(19)25-23(26)33-13(2)20(27)24-14-6-7-16-17(10-14)30-12-29-16/h3-7,9-11,13H,1,8,12H2,2H3,(H,24,27)