2-bromanyl-N-[[2-ethyl-5-(4-methoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[2-ethyl-5-(4-methoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[2-ethyl-5-(4-methoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-ethyl-5-(4-methoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[2-ethyl-5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[2-ethyl-4-keto-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]thiocarbamoyl]benzamide Formula: C23H19BrN4O3S2 MolecularWeight: 543.45596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)N1NC(=S)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)N1NC(=S)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H19BrN4O3S2/c1-3-18-25-21-19(16(12-33-21)13-8-10-14(31-2)11-9-13)22(30)28(18)27-23(32)26-20(29)15-6-4-5-7-17(15)24/h4-12H,3H2,1-2H3,(H2,26,27,29,32)